(2R)-4-[(3-chloranyl-4-cyano-phenyl)amino]-2-methyl-4-oxidanylidene-2-phenyl-butanoate

Systemtic Name: (2R)-4-[(3-chloranyl-4-cyano-phenyl)amino]-2-methyl-4-oxidanylidene-2-phenyl-butanoate Openeye Name: (2R)-4-(3-chloro-4-cyano-anilino)-2-methyl-4-oxo-2-phenyl-butanoate CAS Name: (2R)-4-(3-chloro-4-cyanoanilino)-2-methyl-4-oxo-2-phenylbutanoate IUPAC Name: (2R)-4-(3-chloro-4-cyanoanilino)-2-methyl-4-oxo-2-phenylbutanoate Traditional Name: (2R)-4-(3-chloro-4-cyano-anilino)-4-keto-2-methyl-2-phenyl-butyrate Formula: C18H14ClN2O3- MolecularWeight: 341.76836

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC(=C(C=C1)C#N)Cl)(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[C@@](CC(=O)NC1=CC(=C(C=C1)C#N)Cl)(C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H15ClN2O3/c1-18(17(23)24,13-5-3-2-4-6-13)10-16(22)21-14-8-7-12(11-20)15(19)9-14/h2-9H,10H2,1H3,(H,21,22)(H,23,24)/p-1/t18-/m1/s1