[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 4-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 4-nitrobenzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C19H19N3O5 MolecularWeight: 369.37126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5/c23-18(14-27-19(24)15-6-8-17(9-7-15)22(25)26)21-12-10-20(11-13-21)16-4-2-1-3-5-16/h1-9H,10-14H2