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

Systemtic Name: 3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid CAS Name: 3-nitro-4-[4-(2-pyrimidinyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 3-nitro-4-[4-(2-pyrimidyl)piperazino]benzoic acid Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O4/c21-14(22)11-2-3-12(13(10-11)20(23)24)18-6-8-19(9-7-18)15-16-4-1-5-17-15/h1-5,10H,6-9H2,(H,21,22)