2-[[6-(2-methyl-1H-indol-3-yl)-5-oxidanylidene-3-phenyl-2,6-dihydro-1,2,4-triazin-1-yl]carbonyl]benzoic acid

Systemtic Name: 2-[[6-(2-methyl-1H-indol-3-yl)-5-oxidanylidene-3-phenyl-2,6-dihydro-1,2,4-triazin-1-yl]carbonyl]benzoic acid Openeye Name: 2-[6-(2-methyl-1H-indol-3-yl)-5-oxo-3-phenyl-2,6-dihydro-1,2,4-triazine-1-carbonyl]benzoic acid CAS Name: 2-[[6-(2-methyl-1H-indol-3-yl)-5-oxo-3-phenyl-2,6-dihydro-1,2,4-triazin-1-yl]-oxomethyl]benzoic acid IUPAC Name: 2-[6-(2-methyl-1H-indol-3-yl)-5-oxo-3-phenyl-2,6-dihydro-1,2,4-triazine-1-carbonyl]benzoic acid Traditional Name: 2-[5-keto-6-(2-methyl-1H-indol-3-yl)-3-phenyl-2,6-dihydro-1,2,4-triazine-1-carbonyl]benzoic acid Formula: C26H20N4O4 MolecularWeight: 452.4614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C3C(=O)N=C(NN3C(=O)C4=CC=CC=C4C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C3C(=O)N=C(NN3C(=O)C4=CC=CC=C4C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C26H20N4O4/c1-15-21(19-13-7-8-14-20(19)27-15)22-24(31)28-23(16-9-3-2-4-10-16)29-30(22)25(32)17-11-5-6-12-18(17)26(33)34/h2-14,22,27H,1H3,(H,33,34)(H,28,29,31)