methyl 2-[1-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]piperazin-2-yl]acetic acid methyl ester Formula: C16H20N4O7 MolecularWeight: 380.3526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2CCNC(=O)C2CC(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2CCNC(=O)C2CC(=O)OC

InChI

InChI=1S/C16H20N4O7/c1-26-13-7-10(20(24)25)3-4-11(13)18-14(21)9-19-6-5-17-16(23)12(19)8-15(22)27-2/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,17,23)(H,18,21)