2-(3-azanyl-4-methyl-phenyl)-2-[(4-cyanophenyl)amino]ethanoic acid

Systemtic Name: 2-(3-azanyl-4-methyl-phenyl)-2-[(4-cyanophenyl)amino]ethanoic acid Openeye Name: 2-(3-amino-4-methyl-phenyl)-2-(4-cyanoanilino)acetic acid CAS Name: 2-(3-amino-4-methylphenyl)-2-(4-cyanoanilino)acetic acid IUPAC Name: 2-(3-amino-4-methylphenyl)-2-(4-cyanoanilino)acetic acid Traditional Name: 2-(3-amino-4-methyl-phenyl)-2-(4-cyanoanilino)acetic acid Formula: C16H15N3O2 MolecularWeight: 281.3092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)N

InChI

InChI=1S/C16H15N3O2/c1-10-2-5-12(8-14(10)18)15(16(20)21)19-13-6-3-11(9-17)4-7-13/h2-8,15,19H,18H2,1H3,(H,20,21)