4-[5-azanyl-4-(3,4-dimethoxyphenyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[5-azanyl-4-(3,4-dimethoxyphenyl)pyrazol-1-yl]benzoic acid Openeye Name: 4-[5-amino-4-(3,4-dimethoxyphenyl)pyrazol-1-yl]benzoic acid CAS Name: 4-[5-amino-4-(3,4-dimethoxyphenyl)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[5-amino-4-(3,4-dimethoxyphenyl)pyrazol-1-yl]benzoic acid Traditional Name: 4-[5-amino-4-(3,4-dimethoxyphenyl)pyrazol-1-yl]benzoic acid Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(N=C2)C3=CC=C(C=C3)C(=O)O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(N=C2)C3=CC=C(C=C3)C(=O)O)N)OC

InChI

InChI=1S/C18H17N3O4/c1-24-15-8-5-12(9-16(15)25-2)14-10-20-21(17(14)19)13-6-3-11(4-7-13)18(22)23/h3-10H,19H2,1-2H3,(H,22,23)