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

Systemtic Name: 3-[5-methyl-3-oxidanylidene-4-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrazol-2-yl]benzoic acid Openeye Name: 3-[5-methyl-3-oxo-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrazol-2-yl]benzoic acid CAS Name: 3-[5-methyl-3-oxo-4-[(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 3-[5-methyl-3-oxo-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrazol-2-yl]benzoic acid Traditional Name: 3-[5-keto-4-[(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]-3-methyl-3-pyrazolin-1-yl]benzoic acid Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(=O)O)C=C3C=CC=CC3=O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(=O)O)C=C3C=CC=CC3=O

InChI

InChI=1S/C18H14N2O4/c1-11-15(10-12-5-2-3-8-16(12)21)17(22)20(19-11)14-7-4-6-13(9-14)18(23)24/h2-10,19H,1H3,(H,23,24)