2-[5-bromanyl-4-[2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanoate

Systemtic Name: 2-[5-bromanyl-4-[2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanoate Openeye Name: 2-[5-bromo-4-[2-cyano-3-(3-ethoxyanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetate CAS Name: 2-[5-bromo-4-[2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetate IUPAC Name: 2-[5-bromo-4-[2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetate Traditional Name: 2-[5-bromo-4-[2-cyano-3-keto-3-(m-phenetidino)prop-1-enyl]-2-methoxy-phenoxy]acetate Formula: C21H18BrN2O6- MolecularWeight: 474.28142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)NC(=O)C(=CC2=CC(=C(C=C2Br)OCC(=O)[O-])OC)C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)NC(=O)C(=CC2=CC(=C(C=C2Br)OCC(=O)[O-])OC)C#N

InChI

InChI=1S/C21H19BrN2O6/c1-3-29-16-6-4-5-15(9-16)24-21(27)14(11-23)7-13-8-18(28-2)19(10-17(13)22)30-12-20(25)26/h4-10H,3,12H2,1-2H3,(H,24,27)(H,25,26)/p-1