3-[(3E)-3-(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 3-[(3E)-3-(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzoic acid Openeye Name: 3-[(3E)-3-(4-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzoic acid CAS Name: 3-[(3E)-3-(4-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 3-[(3E)-3-(4-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzoic acid Traditional Name: 3-[(5E)-5-(6-keto-4-methoxy-cyclohexa-2,4-dien-1-ylidene)-3-pyrazolin-1-yl]benzoic acid Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=C2C=CNN2C3=CC=CC(=C3)C(=O)O)C=C1

Isomeric SMILES

COC1=CC(=O)/C(=C/2\C=CNN2C3=CC=CC(=C3)C(=O)O)/C=C1

InChI

InChI=1S/C17H14N2O4/c1-23-13-5-6-14(16(20)10-13)15-7-8-18-19(15)12-4-2-3-11(9-12)17(21)22/h2-10,18H,1H3,(H,21,22)/b15-14+