[1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5/c1-16(32-23(29)17-7-12-20(25(2)3)21(15-17)27(30)31)22(28)24-18-8-10-19(11-9-18)26-13-5-4-6-14-26/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,24,28)