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

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] butanoate Openeye Name: [4-[3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] butanoate CAS Name: butanoic 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] butanoate Traditional Name: butyric acid [4-[3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-4-6-17(21)24-15-8-7-13(11-16(15)23-3)10-14(12-19)18(22)20-9-5-2/h5,7-8,10-11H,2,4,6,9H2,1,3H3,(H,20,22)