5-[(4-cyanophenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(4-cyanophenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoate Openeye Name: 5-(4-cyanoanilino)-3,3-dimethyl-5-oxo-pentanoate CAS Name: 5-(4-cyanoanilino)-3,3-dimethyl-5-oxopentanoate IUPAC Name: 5-(4-cyanoanilino)-3,3-dimethyl-5-oxopentanoate Traditional Name: 5-(4-cyanoanilino)-5-keto-3,3-dimethyl-valerate Formula: C14H15N2O3- MolecularWeight: 259.2805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=CC=C(C=C1)C#N)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)NC1=CC=C(C=C1)C#N)CC(=O)[O-]

InChI

InChI=1S/C14H16N2O3/c1-14(2,8-13(18)19)7-12(17)16-11-5-3-10(9-15)4-6-11/h3-6H,7-8H2,1-2H3,(H,16,17)(H,18,19)/p-1