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

Systemtic Name: 4-[5-methyl-3-oxidanylidene-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-2-yl]benzoate Openeye Name: 4-[5-methyl-3-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-2-yl]benzoate CAS Name: 4-[5-methyl-3-oxo-4-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1H-pyrazol-2-yl]benzoate IUPAC Name: 4-[5-methyl-3-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-2-yl]benzoate Traditional Name: 4-[5-keto-4-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]-3-methyl-3-pyrazolin-1-yl]benzoate Formula: C18H13N2O4- MolecularWeight: 321.30682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)[O-])C=C3C=CC(=O)C=C3

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)[O-])C=C3C=CC(=O)C=C3

InChI

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