3-(azidomethyl)aniline; methyl 2-phenylethanoate

Systemtic Name: 3-(azidomethyl)aniline; methyl 2-phenylethanoate Openeye Name: 3-(azidomethyl)aniline; methyl 2-phenylacetate CAS Name: 3-(azidomethyl)aniline; 2-phenylacetic acid methyl ester IUPAC Name: 3-(azidomethyl)aniline; methyl 2-phenylacetate Traditional Name: [3-(azidomethyl)phenyl]amine; 2-phenylacetic acid methyl ester Formula: C16H18N4O2 MolecularWeight: 298.33972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=CC=C1.C1=CC(=CC(=C1)N)CN=[N+]=[N-]

Isomeric SMILES

COC(=O)CC1=CC=CC=C1.C1=CC(=CC(=C1)N)CN=[N+]=[N-]

InChI

InChI=1S/C9H10O2.C7H8N4/c1-11-9(10)7-8-5-3-2-4-6-8;8-7-3-1-2-6(4-7)5-10-11-9/h2-6H,7H2,1H3;1-4H,5,8H2