[2-[(4-methoxyphenyl)carbonylamino]-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-[(4-methoxyphenyl)carbonylamino]-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-[(4-methoxybenzoyl)amino]-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-[[(4-methoxyphenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-keto-2-(p-anisoylamino)ethyl] ester Formula: C23H25N3O7 MolecularWeight: 455.4605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O7/c1-15-4-3-11-25(13-15)19-10-7-17(12-20(19)26(30)31)23(29)33-14-21(27)24-22(28)16-5-8-18(32-2)9-6-16/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,24,27,28)