methyl 2-[[(Z)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[(Z)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[(Z)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[(Z)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[(Z)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[(Z)-2-cyano-3-keto-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC=C(C#N)C(=O)NCCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)N/C=C(/C#N)\C(=O)NCCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H23N3O5/c1-28-19-11-17(22(27)30-3)18(12-20(19)29-2)25-14-16(13-23)21(26)24-10-9-15-7-5-4-6-8-15/h4-8,11-12,14,25H,9-10H2,1-3H3,(H,24,26)/b16-14-