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

Systemtic Name: 4-[5-methyl-3-oxidanylidene-4-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrazol-2-yl]benzoate Openeye Name: 4-[5-methyl-3-oxo-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrazol-2-yl]benzoate CAS Name: 4-[5-methyl-3-oxo-4-[(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-1H-pyrazol-2-yl]benzoate IUPAC Name: 4-[5-methyl-3-oxo-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrazol-2-yl]benzoate Traditional Name: 4-[5-keto-4-[(6-ketocyclohexa-2,4-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=CC3=O

Isomeric SMILES

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

InChI

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