[2-bromanyl-4-[(E)-2-cyano-3-[(4-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenyl] ethanoate

Systemtic Name: [2-bromanyl-4-[(E)-2-cyano-3-[(4-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenyl] ethanoate Openeye Name: [2-bromo-4-[(E)-2-cyano-3-(4-ethoxyanilino)-3-oxo-prop-1-enyl]-6-methoxy-phenyl] acetate CAS Name: acetic acid [2-bromo-4-[(E)-2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]-6-methoxyphenyl] acetate Traditional Name: acetic acid [2-bromo-4-[(E)-2-cyano-3-keto-3-(p-phenetidino)prop-1-enyl]-6-methoxy-phenyl] ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Br)OC(=O)C)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O5/c1-4-28-17-7-5-16(6-8-17)24-21(26)15(12-23)9-14-10-18(22)20(29-13(2)25)19(11-14)27-3/h5-11H,4H2,1-3H3,(H,24,26)/b15-9+