9-(3-methyl-5,6-diphenyl-3H-1,2,4-triazin-2-yl)-2-oxidanylidene-nonanoate

Systemtic Name: 9-(3-methyl-5,6-diphenyl-3H-1,2,4-triazin-2-yl)-2-oxidanylidene-nonanoate Openeye Name: 9-(3-methyl-5,6-diphenyl-3H-1,2,4-triazin-2-yl)-2-oxo-nonanoate CAS Name: 9-(3-methyl-5,6-diphenyl-3H-1,2,4-triazin-2-yl)-2-oxononanoate IUPAC Name: 9-(3-methyl-5,6-diphenyl-3H-1,2,4-triazin-2-yl)-2-oxononanoate Traditional Name: 2-keto-9-(3-methyl-5,6-diphenyl-3H-1,2,4-triazin-2-yl)pelargonate Formula: C25H28N3O3- MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

CC1N=C(C(=NN1CCCCCCCC(=O)C(=O)[O-])C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1N=C(C(=NN1CCCCCCCC(=O)C(=O)[O-])C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O3/c1-19-26-23(20-13-7-5-8-14-20)24(21-15-9-6-10-16-21)27-28(19)18-12-4-2-3-11-17-22(29)25(30)31/h5-10,13-16,19H,2-4,11-12,17-18H2,1H3,(H,30,31)/p-1