ethyl 2-[1-(3-methoxy-4-nitro-phenyl)carbonyl-7-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate

Systemtic Name: ethyl 2-[1-(3-methoxy-4-nitro-phenyl)carbonyl-7-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: ethyl 2-[1-(3-methoxy-4-nitro-benzoyl)-7-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[1-[(3-methoxy-4-nitrophenyl)-oxomethyl]-7-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(3-methoxy-4-nitrobenzoyl)-7-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-[4-keto-1-(3-methoxy-4-nitro-benzoyl)-7-methyl-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester Formula: C22H23N3O7 MolecularWeight: 441.43392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)CCN(C2=C1C=C(C=C2)C)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)CN1C(=O)CCN(C2=C1C=C(C=C2)C)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H23N3O7/c1-4-32-21(27)13-24-18-11-14(2)5-7-16(18)23(10-9-20(24)26)22(28)15-6-8-17(25(29)30)19(12-15)31-3/h5-8,11-12H,4,9-10,13H2,1-3H3