[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C22H24N4O7 MolecularWeight: 456.44856

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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=CC(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O7/c1-14-4-3-9-24(12-14)19-8-6-16(10-20(19)26(31)32)22(28)33-13-21(27)23-18-11-17(25(29)30)7-5-15(18)2/h5-8,10-11,14H,3-4,9,12-13H2,1-2H3,(H,23,27)