1-[(3-nitrophenyl)methyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(3-nitrophenyl)methyl]pyrazole-4-carboxylic acid Openeye Name: 1-[(3-nitrophenyl)methyl]pyrazole-4-carboxylic acid CAS Name: 1-[(3-nitrophenyl)methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(3-nitrophenyl)methyl]pyrazole-4-carboxylic acid Traditional Name: 1-(3-nitrobenzyl)pyrazole-4-carboxylic acid Formula: C11H9N3O4 MolecularWeight: 247.20686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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