[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamidopropanoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamidopropanoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] (2R)-2-benzamidopropanoate CAS Name: (2R)-2-benzamidopropanoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] (2R)-2-benzamidopropanoate Traditional Name: (2R)-2-benzamidopropionic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C19H16ClN3O4 MolecularWeight: 385.80104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)C#N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)C#N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H16ClN3O4/c1-12(22-18(25)13-5-3-2-4-6-13)19(26)27-11-17(24)23-16-9-15(20)8-7-14(16)10-21/h2-9,12H,11H2,1H3,(H,22,25)(H,23,24)/t12-/m1/s1