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

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C20H22N4O5 MolecularWeight: 398.41248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5/c21-18-12-16(24(27)28)8-9-17(18)20(26)29-13-19(25)22-14-4-6-15(7-5-14)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13,21H2,(H,22,25)