4-[[6-methyl-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-4-yl]oxy]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C2C=CC=CC2=O)N1)OC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=C2C=CC=CC2=O)N1)OC3=CC=C(C=C3)C(=O)O

InChI

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