ethyl 2-[4,4-dimethyl-5-(4-nitrophenyl)carbonyl-2-oxidanylidene-3H-1,5-benzodiazepin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4,4-dimethyl-5-(4-nitrophenyl)carbonyl-2-oxidanylidene-3H-1,5-benzodiazepin-1-yl]ethanoate Openeye Name: ethyl 2-[4,4-dimethyl-5-(4-nitrobenzoyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetate CAS Name: 2-[4,4-dimethyl-5-[(4-nitrophenyl)-oxomethyl]-2-oxo-3H-1,5-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4,4-dimethyl-5-(4-nitrobenzoyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetate Traditional Name: 2-[2-keto-4,4-dimethyl-5-(4-nitrobenzoyl)-3H-1,5-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)CC(N(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C)C

Isomeric SMILES

CCOC(=O)CN1C(=O)CC(N(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C)C

InChI

InChI=1S/C22H23N3O6/c1-4-31-20(27)14-23-17-7-5-6-8-18(17)24(22(2,3)13-19(23)26)21(28)15-9-11-16(12-10-15)25(29)30/h5-12H,4,13-14H2,1-3H3