ethanedioic acid; [4-[(4-nitrophenyl)methyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: ethanedioic acid; [4-[(4-nitrophenyl)methyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[(4-nitrophenyl)methyl]piperazin-1-yl]-phenyl-methanone; oxalic acid CAS Name: [4-[(4-nitrophenyl)methyl]-1-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[(4-nitrophenyl)methyl]piperazin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-(4-nitrobenzyl)piperazino]-phenyl-methanone; oxalic acid Formula: C20H21N3O7 MolecularWeight: 415.39664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19N3O3.C2H2O4/c22-18(16-4-2-1-3-5-16)20-12-10-19(11-13-20)14-15-6-8-17(9-7-15)21(23)24;3-1(4)2(5)6/h1-9H,10-14H2;(H,3,4)(H,5,6)