2-[(E)-C-methyl-N-[2-(3-oxidanylidene-5,6-diphenyl-1,2,4-triazin-2-yl)ethanoylamino]carbonimidoyl]benzoic acid

Systemtic Name: 2-[(E)-C-methyl-N-[2-(3-oxidanylidene-5,6-diphenyl-1,2,4-triazin-2-yl)ethanoylamino]carbonimidoyl]benzoic acid Openeye Name: 2-[(E)-C-methyl-N-[[2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetyl]amino]carbonimidoyl]benzoic acid CAS Name: 2-[(1E)-1-[[1-oxo-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)ethyl]hydrazinylidene]ethyl]benzoic acid IUPAC Name: 2-[(E)-C-methyl-N-[[2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetyl]amino]carbonimidoyl]benzoic acid Traditional Name: 2-[(E)-N-[[2-(3-keto-5,6-diphenyl-1,2,4-triazin-2-yl)acetyl]amino]-C-methyl-carbonimidoyl]benzoic acid Formula: C26H21N5O4 MolecularWeight: 467.47604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CN1C(=O)N=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C/C(=N\NC(=O)CN1C(=O)N=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)/C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C26H21N5O4/c1-17(20-14-8-9-15-21(20)25(33)34)28-29-22(32)16-31-26(35)27-23(18-10-4-2-5-11-18)24(30-31)19-12-6-3-7-13-19/h2-15H,16H2,1H3,(H,29,32)(H,33,34)/b28-17+