17-(3-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-1-carboxylic acid

17-(3-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-1-carboxylic acid

Formula: C25H16N2O6

SMILES: OC(=O)C12C3C(C(C4=C1C=CC=C4)C1=C2C=CC=C1)C(=O)N(C3=O)C1=CC(=CC=C1)[N+]([O-])=O

IUPAC: 17-(3-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-1-carboxylic acid

InChI: InChI=1/C25H16N2O6/c28-22-20-19-15-8-1-3-10-17(15)25(24(30)31,18-11-4-2-9-16(18)19)21(20)23(29)26(22)13-6-5-7-14(12-13)27(32)33/h1-12,19-21H,(H,30,31)

Composition: C (68.18%), H (3.66%), N (6.36%), O (21.80%)

Molar Mass: 440.411

Atom Count: 49

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	440.100836243
Formal Charge	0
FSP3	0.16
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	YENHTYPOZRMSEV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.06
Topological Polar Surface Area	117.82
Polarizability	43.89
Ring Count	6
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H16N2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00