[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C19H17ClN4O4 MolecularWeight: 400.81568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC(=C(C=C1)C#N)Cl)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC(=C(C=C1)C#N)Cl)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C19H17ClN4O4/c1-12(22-19(27)24-14-5-3-2-4-6-14)18(26)28-11-17(25)23-15-8-7-13(10-21)16(20)9-15/h2-9,12H,11H2,1H3,(H,23,25)(H2,22,24,27)/t12-/m0/s1