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

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl] ester Formula: C22H24N4O8 MolecularWeight: 472.44796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O8/c1-14-4-3-9-24(12-14)18-8-5-15(10-20(18)26(31)32)22(28)34-13-21(27)23-17-7-6-16(33-2)11-19(17)25(29)30/h5-8,10-11,14H,3-4,9,12-13H2,1-2H3,(H,23,27)