[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C20H21N3O5 MolecularWeight: 383.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-15-7-8-16(13-18(15)23(26)27)20(25)28-14-19(24)22-11-9-21(10-12-22)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3