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

Systemtic Name: methyl 4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-5-yl]benzoate Openeye Name: methyl 4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-5-yl]benzoate CAS Name: 4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyrimidin-5-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-5-yl]benzoate Traditional Name: 4-[2-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-5-yl]benzoic acid methyl ester Formula: C18H14N2O3 MolecularWeight: 306.31536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CNC(=C3C=CC(=O)C=C3)N=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CNC(=C3C=CC(=O)C=C3)N=C2

InChI

InChI=1S/C18H14N2O3/c1-23-18(22)14-4-2-12(3-5-14)15-10-19-17(20-11-15)13-6-8-16(21)9-7-13/h2-11,19H,1H3