ethyl 3-nitro-5-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamoyl]benzoate Openeye Name: ethyl 3-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(4-benzylpiperazino)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C27H28N4O5 MolecularWeight: 488.53502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O5/c1-2-36-27(33)22-16-21(17-25(18-22)31(34)35)26(32)28-23-8-10-24(11-9-23)30-14-12-29(13-15-30)19-20-6-4-3-5-7-20/h3-11,16-18H,2,12-15,19H2,1H3,(H,28,32)