methyl 2-(7-nitro-3-oxidanylidene-2,5-dihydro-1H-2,4-benzodiazepin-4-yl)ethanoate

Systemtic Name: methyl 2-(7-nitro-3-oxidanylidene-2,5-dihydro-1H-2,4-benzodiazepin-4-yl)ethanoate Openeye Name: methyl 2-(7-nitro-3-oxo-2,5-dihydro-1H-2,4-benzodiazepin-4-yl)acetate CAS Name: 2-(7-nitro-3-oxo-2,5-dihydro-1H-2,4-benzodiazepin-4-yl)acetic acid methyl ester IUPAC Name: methyl 2-(7-nitro-3-oxo-2,5-dihydro-1H-2,4-benzodiazepin-4-yl)acetate Traditional Name: 2-(3-keto-7-nitro-2,5-dihydro-1H-2,4-benzodiazepin-4-yl)acetic acid methyl ester Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CC2=C(CNC1=O)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN1CC2=C(CNC1=O)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5/c1-20-11(16)7-14-6-9-4-10(15(18)19)3-2-8(9)5-13-12(14)17/h2-4H,5-7H2,1H3,(H,13,17)