6-[(5-azanyl-1-phenyl-pyrazol-4-yl)carbonyliminomethyl]-2,3-dimethoxy-benzoic acid

Systemtic Name: 6-[(5-azanyl-1-phenyl-pyrazol-4-yl)carbonyliminomethyl]-2,3-dimethoxy-benzoic acid Openeye Name: 6-[(5-amino-1-phenyl-pyrazole-4-carbonyl)iminomethyl]-2,3-dimethoxy-benzoic acid CAS Name: 6-[[(5-amino-1-phenyl-4-pyrazolyl)-oxomethyl]iminomethyl]-2,3-dimethoxybenzoic acid IUPAC Name: 6-[(5-amino-1-phenylpyrazole-4-carbonyl)iminomethyl]-2,3-dimethoxybenzoic acid Traditional Name: 6-[(5-amino-1-phenyl-pyrazole-4-carbonyl)iminomethyl]-2,3-dimethoxy-benzoic acid Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5/c1-28-15-9-8-12(16(20(26)27)17(15)29-2)10-22-19(25)14-11-23-24(18(14)21)13-6-4-3-5-7-13/h3-11H,21H2,1-2H3,(H,26,27)