ethyl 2-[2-bromanyl-4-[(E)-2-cyano-3-oxidanylidene-3-(1-phenylethylamino)prop-1-enyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-bromanyl-4-[(E)-2-cyano-3-oxidanylidene-3-(1-phenylethylamino)prop-1-enyl]phenoxy]ethanoate Openeye Name: ethyl 2-[2-bromo-4-[(E)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]phenoxy]acetate CAS Name: 2-[2-bromo-4-[(E)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-bromo-4-[(E)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]phenoxy]acetate Traditional Name: 2-[2-bromo-4-[(E)-2-cyano-3-keto-3-(1-phenylethylamino)prop-1-enyl]phenoxy]acetic acid ethyl ester Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC(C)C2=CC=CC=C2)Br

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC(C)C2=CC=CC=C2)Br

InChI

InChI=1S/C22H21BrN2O4/c1-3-28-21(26)14-29-20-10-9-16(12-19(20)23)11-18(13-24)22(27)25-15(2)17-7-5-4-6-8-17/h4-12,15H,3,14H2,1-2H3,(H,25,27)/b18-11+