ethanedioic acid; [4-[(3-nitrophenyl)methyl]piperazin-1-yl]-pyridin-4-yl-methanone

Systemtic Name: ethanedioic acid; [4-[(3-nitrophenyl)methyl]piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[(3-nitrophenyl)methyl]piperazin-1-yl]-(4-pyridyl)methanone; oxalic acid CAS Name: [4-[(3-nitrophenyl)methyl]-1-piperazinyl]-pyridin-4-ylmethanone; oxalic acid IUPAC Name: [4-[(3-nitrophenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone; oxalic acid Traditional Name: [4-(3-nitrobenzyl)piperazino]-(4-pyridyl)methanone; oxalic acid Formula: C19H20N4O7 MolecularWeight: 416.3847

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3.C2H2O4/c22-17(15-4-6-18-7-5-15)20-10-8-19(9-11-20)13-14-2-1-3-16(12-14)21(23)24;3-1(4)2(5)6/h1-7,12H,8-11,13H2;(H,3,4)(H,5,6)