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

Systemtic Name: 2-[2-bromanyl-4-[(Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-4-[(Z)-2-cyano-3-(3-methylanilino)-3-oxo-prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[2-bromo-4-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[2-bromo-4-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[2-bromo-4-[(Z)-2-cyano-3-keto-3-(m-toluidino)prop-1-enyl]phenoxy]acetic acid Formula: C19H15BrN2O4 MolecularWeight: 415.2374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)OCC(=O)O)Br)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)/C(=C\C2=CC(=C(C=C2)OCC(=O)O)Br)/C#N

InChI

InChI=1S/C19H15BrN2O4/c1-12-3-2-4-15(7-12)22-19(25)14(10-21)8-13-5-6-17(16(20)9-13)26-11-18(23)24/h2-9H,11H2,1H3,(H,22,25)(H,23,24)/b14-8-