2-[4-(4-nitrophenyl)piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 2-[4-(4-nitrophenyl)-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 2-[4-(4-nitrophenyl)piperazino]nicotinic acid Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C16H16N4O4/c21-16(22)14-2-1-7-17-15(14)19-10-8-18(9-11-19)12-3-5-13(6-4-12)20(23)24/h1-7H,8-11H2,(H,21,22)