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

Systemtic Name: ethyl 2-[7-methyl-1-(3-methyl-4-nitro-phenyl)carbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: ethyl 2-[7-methyl-1-(3-methyl-4-nitro-benzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[7-methyl-1-[(3-methyl-4-nitrophenyl)-oxomethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-methyl-1-(3-methyl-4-nitrobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-[4-keto-7-methyl-1-(3-methyl-4-nitro-benzoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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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-])C

Isomeric SMILES

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

InChI

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