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

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [4-[3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: 2-cyano-3-(4-methoxyphenyl)-2-propenoic 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] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: 2-cyano-3-(4-methoxyphenyl)acrylic acid [4-[3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC=C)OC

Isomeric SMILES

COC1=CC=C(C=C1)C=C(C#N)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC=C)OC

InChI

InChI=1S/C25H21N3O5/c1-4-11-28-24(29)19(15-26)13-18-7-10-22(23(14-18)32-3)33-25(30)20(16-27)12-17-5-8-21(31-2)9-6-17/h4-10,12-14H,1,11H2,2-3H3,(H,28,29)