3-[(4E)-4-[(3-methoxyphenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4E)-4-[(3-methoxyphenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[(3-methoxyphenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-4-[(3-methoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-4-[(3-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-5-keto-4-m-anisylidene-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=CC=C2)OC)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=CC=C2)OC)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H16N2O4/c1-12-17(10-13-5-3-8-16(9-13)25-2)18(22)21(20-12)15-7-4-6-14(11-15)19(23)24/h3-11H,1-2H3,(H,23,24)/b17-10+