3-[3-oxidanylidene-4-[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]-5-propyl-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 3-[3-oxidanylidene-4-[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]-5-propyl-1H-pyrazol-2-yl]benzoic acid Openeye Name: 3-[3-oxo-4-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-5-propyl-1H-pyrazol-2-yl]benzoic acid CAS Name: 3-[3-oxo-4-[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-5-propyl-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 3-[3-oxo-4-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-5-propyl-1H-pyrazol-2-yl]benzoic acid Traditional Name: 3-[5-keto-4-[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]-3-propyl-3-pyrazolin-1-yl]benzoic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(=O)O)C=C3C=CC=CC3=O

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(=O)O)/C=C/3\C=CC=CC3=O

InChI

InChI=1S/C20H18N2O4/c1-2-6-17-16(12-13-7-3-4-10-18(13)23)19(24)22(21-17)15-9-5-8-14(11-15)20(25)26/h3-5,7-12,21H,2,6H2,1H3,(H,25,26)/b13-12+