2-(3-nitrophenyl)-2-oxoethyl 3-{16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl}benzoate

2-(3-nitrophenyl)-2-oxoethyl 3-{16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl}benzoate

Formula: C33H22N2O7

SMILES: [O-][N+](=O)C1=CC(=CC=C1)C(=O)COC(=O)C1=CC(=CC=C1)N1C(=O)C2C(C3C4=CC=CC=C4C2C2=C3C=CC=C2)C1=O

IUPAC: 2-(3-nitrophenyl)-2-oxoethyl 3-{16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl}benzoate

InChI: InChI=1/C33H22N2O7/c36-26(18-7-5-10-21(15-18)35(40)41)17-42-33(39)19-8-6-9-20(16-19)34-31(37)29-27-22-11-1-2-12-23(22)28(30(29)32(34)38)25-14-4-3-13-24(25)27/h1-16,27-30H,17H2

Composition: C (70.96%), H (3.97%), N (5.02%), O (20.05%)

Molar Mass: 558.546

Atom Count: 64

Heavy Atom Count: 42

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	2
Exact Mass	558.142701056
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	WDCFRLSGQMGCAM-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	150.92
Topological Polar Surface Area	123.89
Polarizability	57.42
Ring Count	7
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C33H22N2O7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00