3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]benzoic acid CAS Name: 3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 3-nitro-4-[4-(2-pyridyl)piperazino]benzoic acid Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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