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

Systemtic Name: 2-[5-bromanyl-4-[(Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[5-bromo-4-[(Z)-2-cyano-3-(3-ethoxyanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[5-bromo-4-[(Z)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[5-bromo-4-[(Z)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[5-bromo-4-[(Z)-2-cyano-3-keto-3-(m-phenetidino)prop-1-enyl]-2-methoxy-phenoxy]acetic acid Formula: C21H19BrN2O6 MolecularWeight: 475.28936

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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(=C\C2=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)/b14-7-