3-[(4-nitropyrazol-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(4-nitropyrazol-1-yl)methyl]benzoic acid Openeye Name: 3-[(4-nitropyrazol-1-yl)methyl]benzoic acid CAS Name: 3-[(4-nitro-1-pyrazolyl)methyl]benzoic acid IUPAC Name: 3-[(4-nitropyrazol-1-yl)methyl]benzoic acid Traditional Name: 3-[(4-nitropyrazol-1-yl)methyl]benzoic acid Formula: C11H9N3O4 MolecularWeight: 247.20686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(C=N2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(C=N2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H9N3O4/c15-11(16)9-3-1-2-8(4-9)6-13-7-10(5-12-13)14(17)18/h1-5,7H,6H2,(H,15,16)