[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O5/c1-15-10-12-26(13-11-15)20-9-8-19(14-21(20)27(30)31)24(29)32-18(4)23(28)25-22-16(2)6-5-7-17(22)3/h5-9,14-15,18H,10-13H2,1-4H3,(H,25,28)