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

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] pentanoate Openeye Name: [4-[3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pentanoate CAS Name: pentanoic 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] pentanoate Traditional Name: valeric acid [4-[3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NCC=C)OC

Isomeric SMILES

CCCCC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NCC=C)OC

InChI

InChI=1S/C19H22N2O4/c1-4-6-7-18(22)25-16-9-8-14(12-17(16)24-3)11-15(13-20)19(23)21-10-5-2/h5,8-9,11-12H,2,4,6-7,10H2,1,3H3,(H,21,23)