4-[2-methyl-4-(1,2,4-triazin-3-yl)phenyl]benzoic acid

Systemtic Name: 4-[2-methyl-4-(1,2,4-triazin-3-yl)phenyl]benzoic acid Openeye Name: 4-[2-methyl-4-(1,2,4-triazin-3-yl)phenyl]benzoic acid CAS Name: 4-[2-methyl-4-(1,2,4-triazin-3-yl)phenyl]benzoic acid IUPAC Name: 4-[2-methyl-4-(1,2,4-triazin-3-yl)phenyl]benzoic acid Traditional Name: 4-[2-methyl-4-(1,2,4-triazin-3-yl)phenyl]benzoic acid Formula: C17H13N3O2 MolecularWeight: 291.30402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O2/c1-11-10-14(16-18-8-9-19-20-16)6-7-15(11)12-2-4-13(5-3-12)17(21)22/h2-10H,1H3,(H,21,22)