ethyl (E)-3-[3-bromanyl-5-methoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-bromanyl-5-methoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[4-(2-anilino-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-(2-anilino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(2-anilino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-(2-anilino-2-keto-ethoxy)-3-bromo-5-methoxy-phenyl]-2-cyano-acrylic acid ethyl ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=CC=CC=C2)OC)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C(=C1)Br)OCC(=O)NC2=CC=CC=C2)OC)/C#N

InChI

InChI=1S/C21H19BrN2O5/c1-3-28-21(26)15(12-23)9-14-10-17(22)20(18(11-14)27-2)29-13-19(25)24-16-7-5-4-6-8-16/h4-11H,3,13H2,1-2H3,(H,24,25)/b15-9+