(3R)-5-[(3-cyanophenyl)amino]-3-methyl-5-oxidanylidene-pentanoate

Systemtic Name: (3R)-5-[(3-cyanophenyl)amino]-3-methyl-5-oxidanylidene-pentanoate Openeye Name: (3R)-5-(3-cyanoanilino)-3-methyl-5-oxo-pentanoate CAS Name: (3R)-5-(3-cyanoanilino)-3-methyl-5-oxopentanoate IUPAC Name: (3R)-5-(3-cyanoanilino)-3-methyl-5-oxopentanoate Traditional Name: (3R)-5-(3-cyanoanilino)-5-keto-3-methyl-valerate Formula: C13H13N2O3- MolecularWeight: 245.25392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-9(6-13(17)18)5-12(16)15-11-4-2-3-10(7-11)8-14/h2-4,7,9H,5-6H2,1H3,(H,15,16)(H,17,18)/p-1/t9-/m1/s1