(phenylmethyl) 2-[4-[3-[(4-ethanoyl-2-nitro-phenyl)amino]phenyl]piperazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[3-[(4-ethanoyl-2-nitro-phenyl)amino]phenyl]piperazin-1-yl]ethanoate Openeye Name: benzyl 2-[4-[3-(4-acetyl-2-nitro-anilino)phenyl]piperazin-1-yl]acetate CAS Name: 2-[4-[3-(4-acetyl-2-nitroanilino)phenyl]-1-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[3-(4-acetyl-2-nitroanilino)phenyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[3-(4-acetyl-2-nitro-anilino)phenyl]piperazino]acetic acid benzyl ester Formula: C27H28N4O5 MolecularWeight: 488.53502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)N3CCN(CC3)CC(=O)OCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)N3CCN(CC3)CC(=O)OCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O5/c1-20(32)22-10-11-25(26(16-22)31(34)35)28-23-8-5-9-24(17-23)30-14-12-29(13-15-30)18-27(33)36-19-21-6-3-2-4-7-21/h2-11,16-17,28H,12-15,18-19H2,1H3