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

Systemtic Name: [1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-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-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C24H28N4O5 MolecularWeight: 452.50292

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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)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O5/c1-16(23(29)26-19-8-10-20(11-9-19)27-13-3-2-4-14-27)33-24(30)17-5-12-21(25-18-6-7-18)22(15-17)28(31)32/h5,8-12,15-16,18,25H,2-4,6-7,13-14H2,1H3,(H,26,29)