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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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