[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] (E)-3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] (E)-3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] (E)-3-(5-bromo-2-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-ethoxyphenyl)-2-propenoic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] (E)-3-(5-bromo-2-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-ethoxy-phenyl)acrylic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H19BrN2O5 MolecularWeight: 471.30066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)/C=C/C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)N)OC

InChI

InChI=1S/C22H19BrN2O5/c1-3-29-18-8-6-17(23)12-15(18)5-9-21(26)30-19-7-4-14(11-20(19)28-2)10-16(13-24)22(25)27/h4-12H,3H2,1-2H3,(H2,25,27)/b9-5+,16-10+