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

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O5/c28-22(25-18-7-9-19(10-8-18)26-12-2-1-3-13-26)15-32-23(29)16-4-11-20(24-17-5-6-17)21(14-16)27(30)31/h4,7-11,14,17,24H,1-3,5-6,12-13,15H2,(H,25,28)