4-[5-ethoxycarbonyl-3-oxidanylidene-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 4-[5-ethoxycarbonyl-3-oxidanylidene-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-2-yl]benzoic acid Openeye Name: 4-[5-ethoxycarbonyl-3-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-2-yl]benzoic acid CAS Name: 4-[5-ethoxycarbonyl-3-oxo-4-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 4-[5-ethoxycarbonyl-3-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-2-yl]benzoic acid Traditional Name: 4-[3-carbethoxy-5-keto-4-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]-3-pyrazolin-1-yl]benzoic acid Formula: C20H16N2O6 MolecularWeight: 380.35084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)C=C3C=CC(=O)C=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)C=C3C=CC(=O)C=C3

InChI

InChI=1S/C20H16N2O6/c1-2-28-20(27)17-16(11-12-3-9-15(23)10-4-12)18(24)22(21-17)14-7-5-13(6-8-14)19(25)26/h3-11,21H,2H2,1H3,(H,25,26)