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

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5/c1-22-18-10-5-15(13-19(18)25(28)29)21(27)30-14-20(26)23-16-6-8-17(9-7-16)24-11-3-2-4-12-24/h5-10,13,22H,2-4,11-12,14H2,1H3,(H,23,26)