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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O4/c20-16-10-15(7-6-13(16)11-21)23-17(25)12-28-18(26)8-9-22-19(27)24-14-4-2-1-3-5-14/h1-7,10H,8-9,12H2,(H,23,25)(H2,22,24,27)