6-(3-azanylpyrazol-1-yl)carbonyl-2,3-dimethoxy-benzoic acid

Systemtic Name: 6-(3-azanylpyrazol-1-yl)carbonyl-2,3-dimethoxy-benzoic acid Openeye Name: 6-(3-aminopyrazole-1-carbonyl)-2,3-dimethoxy-benzoic acid CAS Name: 6-[(3-amino-1-pyrazolyl)-oxomethyl]-2,3-dimethoxybenzoic acid IUPAC Name: 6-(3-aminopyrazole-1-carbonyl)-2,3-dimethoxybenzoic acid Traditional Name: 6-(3-aminopyrazole-1-carbonyl)-2,3-dimethoxy-benzoic acid Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)N2C=CC(=N2)N)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N2C=CC(=N2)N)C(=O)O)OC

InChI

InChI=1S/C13H13N3O5/c1-20-8-4-3-7(10(13(18)19)11(8)21-2)12(17)16-6-5-9(14)15-16/h3-6H,1-2H3,(H2,14,15)(H,18,19)