[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid [2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H30N4O6 MolecularWeight: 482.5289

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C25H30N4O6/c1-15-11-16(2)14-28(13-15)22-10-5-19(12-23(22)29(33)34)25(32)35-17(3)24(31)27-21-8-6-20(7-9-21)26-18(4)30/h5-10,12,15-17H,11,13-14H2,1-4H3,(H,26,30)(H,27,31)