methyl (E)-3-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]amino]-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]amino]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-chloro-3-[(cyclohexylamino)-oxomethyl]anilino]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-cyano-acrylic acid methyl ester Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CNC1=CC(=C(C=C1)Cl)C(=O)NC2CCCCC2)C#N

Isomeric SMILES

COC(=O)/C(=C/NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCCC2)/C#N

InChI

InChI=1S/C18H20ClN3O3/c1-25-18(24)12(10-20)11-21-14-7-8-16(19)15(9-14)17(23)22-13-5-3-2-4-6-13/h7-9,11,13,21H,2-6H2,1H3,(H,22,23)/b12-11+