methyl 2-[(4E)-3-oxidanylidene-4-(4-phenyl-6-pyridin-2-yl-1H-1,3,5-triazin-2-ylidene)cyclohexa-1,5-dien-1-yl]oxyethanoate

Systemtic Name: methyl 2-[(4E)-3-oxidanylidene-4-(4-phenyl-6-pyridin-2-yl-1H-1,3,5-triazin-2-ylidene)cyclohexa-1,5-dien-1-yl]oxyethanoate Openeye Name: methyl 2-[(4E)-3-oxo-4-[4-phenyl-6-(2-pyridyl)-1H-1,3,5-triazin-2-ylidene]cyclohexa-1,5-dien-1-yl]oxyacetate CAS Name: 2-[[(4E)-3-oxo-4-[4-phenyl-6-(2-pyridinyl)-1H-1,3,5-triazin-2-ylidene]-1-cyclohexa-1,5-dienyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[(4E)-3-oxo-4-(4-phenyl-6-pyridin-2-yl-1H-1,3,5-triazin-2-ylidene)cyclohexa-1,5-dien-1-yl]oxyacetate Traditional Name: 2-[(4E)-3-keto-4-[4-phenyl-6-(2-pyridyl)-1H-s-triazin-2-ylidene]cyclohexa-1,5-dien-1-yl]oxyacetic acid methyl ester Formula: C23H18N4O4 MolecularWeight: 414.41342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC(=O)C(=C2NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=N4)C=C1

Isomeric SMILES

COC(=O)COC1=CC(=O)/C(=C/2\NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=N4)/C=C1

InChI

InChI=1S/C23H18N4O4/c1-30-20(29)14-31-16-10-11-17(19(28)13-16)22-25-21(15-7-3-2-4-8-15)26-23(27-22)18-9-5-6-12-24-18/h2-13H,14H2,1H3,(H,25,26,27)/b22-17-