4-(azidomethyl)-2-(2-methylphenyl)benzoic acid

Systemtic Name: 4-(azidomethyl)-2-(2-methylphenyl)benzoic acid Openeye Name: 4-(azidomethyl)-2-(o-tolyl)benzoic acid CAS Name: 4-(azidomethyl)-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-(azidomethyl)-2-(2-methylphenyl)benzoic acid Traditional Name: 4-(azidomethyl)-2-(o-tolyl)benzoic acid Formula: C15H13N3O2 MolecularWeight: 267.28262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN=[N+]=[N-])C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN=[N+]=[N-])C(=O)O

InChI

InChI=1S/C15H13N3O2/c1-10-4-2-3-5-12(10)14-8-11(9-17-18-16)6-7-13(14)15(19)20/h2-8H,9H2,1H3,(H,19,20)