2-(5-azanyl-5-methyl-cyclohexa-1,3-dien-1-yl)-2-[(4-cyanophenyl)amino]ethanoate

Systemtic Name: 2-(5-azanyl-5-methyl-cyclohexa-1,3-dien-1-yl)-2-[(4-cyanophenyl)amino]ethanoate Openeye Name: 2-(5-amino-5-methyl-cyclohexa-1,3-dien-1-yl)-2-(4-cyanoanilino)acetate CAS Name: 2-(5-amino-5-methyl-1-cyclohexa-1,3-dienyl)-2-(4-cyanoanilino)acetate IUPAC Name: 2-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-2-(4-cyanoanilino)acetate Traditional Name: 2-(5-amino-5-methyl-cyclohexa-1,3-dien-1-yl)-2-(4-cyanoanilino)acetate Formula: C16H16N3O2- MolecularWeight: 282.31714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2/c1-16(18)8-2-3-12(9-16)14(15(20)21)19-13-6-4-11(10-17)5-7-13/h2-8,14,19H,9,18H2,1H3,(H,20,21)/p-1