[2-[[3-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-[[3-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-[3-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-[3-(cyclopropylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C25H28N4O6 MolecularWeight: 480.51302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)[N+](=O)[O-]

InChI

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