[2-[[2-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate

Systemtic Name: [2-[[2-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate Openeye Name: [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl] 2-(4-methyl-1-piperidyl)-5-nitro-benzoate CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitrobenzoic acid [2-[2-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-methylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-methylpiperidino)-5-nitro-benzoic acid [2-[2-(cyclopropylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C25H28N4O6 MolecularWeight: 480.51302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=CC=C3C(=O)NC4CC4

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=CC=C3C(=O)NC4CC4

InChI

InChI=1S/C25H28N4O6/c1-16-10-12-28(13-11-16)22-9-8-18(29(33)34)14-20(22)25(32)35-15-23(30)27-21-5-3-2-4-19(21)24(31)26-17-6-7-17/h2-5,8-9,14,16-17H,6-7,10-13,15H2,1H3,(H,26,31)(H,27,30)