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

Systemtic Name: ethyl 2-[7-chloranyl-1-(3-methoxy-4-nitro-phenyl)carbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: ethyl 2-[7-chloro-1-(3-methoxy-4-nitro-benzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[7-chloro-1-[(3-methoxy-4-nitrophenyl)-oxomethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-chloro-1-(3-methoxy-4-nitrobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-[7-chloro-4-keto-1-(3-methoxy-4-nitro-benzoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester Formula: C21H20ClN3O7 MolecularWeight: 461.8524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O7/c1-3-32-20(27)12-24-17-11-14(22)5-7-15(17)23(9-8-19(24)26)21(28)13-4-6-16(25(29)30)18(10-13)31-2/h4-7,10-11H,3,8-9,12H2,1-2H3