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

Systemtic Name: 4-[(E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-2-cyano-ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-2-cyano-vinyl]benzoic acid CAS Name: 4-[(E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-2-cyanoethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-2-cyanoethenyl]benzoic acid Traditional Name: 4-[(E)-2-(4-amino-6-anilino-s-triazin-2-yl)-2-cyano-vinyl]benzoic acid Formula: C19H14N6O2 MolecularWeight: 358.35346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C(=CC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)/C(=C/C3=CC=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C19H14N6O2/c20-11-14(10-12-6-8-13(9-7-12)17(26)27)16-23-18(21)25-19(24-16)22-15-4-2-1-3-5-15/h1-10H,(H,26,27)(H3,21,22,23,24,25)/b14-10+