[4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 4-chloranylbutanoate

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 4-chloranylbutanoate Openeye Name: [4-[3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-chlorobutanoate CAS Name: 4-chlorobutanoic acid [4-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-chlorobutanoate Traditional Name: 4-chlorobutyric acid [4-[3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C18H19ClN2O4 MolecularWeight: 362.80746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC=C)OC(=O)CCCCl

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC=C)OC(=O)CCCCl

InChI

InChI=1S/C18H19ClN2O4/c1-3-9-21-18(23)14(12-20)10-13-6-7-15(16(11-13)24-2)25-17(22)5-4-8-19/h3,6-7,10-11H,1,4-5,8-9H2,2H3,(H,21,23)