methyl 4-[(E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-2-cyano-ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-2-cyano-ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-2-cyano-vinyl]benzoate CAS Name: 4-[(E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-2-cyanoethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-2-cyanoethenyl]benzoate Traditional Name: 4-[(E)-2-(4-amino-6-anilino-s-triazin-2-yl)-2-cyano-vinyl]benzoic acid methyl ester Formula: C20H16N6O2 MolecularWeight: 372.38004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C#N)C2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C20H16N6O2/c1-28-18(27)14-9-7-13(8-10-14)11-15(12-21)17-24-19(22)26-20(25-17)23-16-5-3-2-4-6-16/h2-11H,1H3,(H3,22,23,24,25,26)/b15-11+