ethyl 10-methoxy-5-(4-nitrophenyl)carbonyl-6H-benzo[b][1,4]benzoxazepine-3-carboxylate

Systemtic Name: ethyl 10-methoxy-5-(4-nitrophenyl)carbonyl-6H-benzo[b][1,4]benzoxazepine-3-carboxylate Openeye Name: ethyl 10-methoxy-5-(4-nitrobenzoyl)-6H-benzo[b][1,4]benzoxazepine-3-carboxylate CAS Name: 10-methoxy-5-[(4-nitrophenyl)-oxomethyl]-6H-benzo[b][1,4]benzoxazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 10-methoxy-5-(4-nitrobenzoyl)-6H-benzo[b][1,4]benzoxazepine-3-carboxylate Traditional Name: 10-methoxy-5-(4-nitrobenzoyl)-6H-benzo[b][1,4]benzoxazepine-3-carboxylic acid ethyl ester Formula: C24H20N2O7 MolecularWeight: 448.4248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)OC3=C(CN2C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C=CC=C3OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)OC3=C(CN2C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C=CC=C3OC

InChI

InChI=1S/C24H20N2O7/c1-3-32-24(28)16-9-12-20-19(13-16)25(14-17-5-4-6-21(31-2)22(17)33-20)23(27)15-7-10-18(11-8-15)26(29)30/h4-13H,3,14H2,1-2H3