2-(4-nitrophenyl)-2-oxoethyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}acetate

2-(4-nitrophenyl)-2-oxoethyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}acetate

Formula: C21H18N2O7

SMILES: [O-][N+](=O)C1=CC=C(C=C1)C(=O)COC(=O)CN1C(=O)C2C(C3C=CC2C2CC32)C1=O

IUPAC: 2-(4-nitrophenyl)-2-oxoethyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}acetate

InChI: InChI=1/C21H18N2O7/c24-16(10-1-3-11(4-2-10)23(28)29)9-30-17(25)8-22-20(26)18-12-5-6-13(15-7-14(12)15)19(18)21(22)27/h1-6,12-15,18-19H,7-9H2

Composition: C (61.46%), H (4.42%), N (6.83%), O (27.29%)

Molar Mass: 410.382

Atom Count: 48

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	6
Exact Mass	410.111400928
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	AFLSSLASNAFAIK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.91
Topological Polar Surface Area	123.89
Polarizability	38.92
Ring Count	5
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H18N2O7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00