3-[[5-azanylidene-3-(4-methylphenyl)-1,2,4-triazin-6-ylidene]amino]benzoic acid

Systemtic Name: 3-[[5-azanylidene-3-(4-methylphenyl)-1,2,4-triazin-6-ylidene]amino]benzoic acid Openeye Name: 3-[[5-imino-3-(p-tolyl)-1,2,4-triazin-6-ylidene]amino]benzoic acid CAS Name: 3-[[5-imino-3-(4-methylphenyl)-1,2,4-triazin-6-ylidene]amino]benzoic acid IUPAC Name: 3-[[5-imino-3-(4-methylphenyl)-1,2,4-triazin-6-ylidene]amino]benzoic acid Traditional Name: 3-[[5-imino-3-(p-tolyl)-1,2,4-triazin-6-ylidene]amino]benzoic acid Formula: C17H13N5O2 MolecularWeight: 319.31742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=N)C(=NC3=CC=CC(=C3)C(=O)O)N=N2

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=N)C(=NC3=CC=CC(=C3)C(=O)O)N=N2

InChI

InChI=1S/C17H13N5O2/c1-10-5-7-11(8-6-10)15-20-14(18)16(22-21-15)19-13-4-2-3-12(9-13)17(23)24/h2-9,18H,1H3,(H,23,24)