2-[2-bromanyl-4-[2-cyano-3-(naphthalen-2-ylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-bromanyl-4-[2-cyano-3-(naphthalen-2-ylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-4-[2-cyano-3-(2-naphthylamino)-3-oxo-prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[2-bromo-4-[2-cyano-3-(2-naphthalenylamino)-3-oxoprop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[2-bromo-4-[2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[2-bromo-4-[2-cyano-3-keto-3-(2-naphthylamino)prop-1-enyl]phenoxy]acetic acid Formula: C22H15BrN2O4 MolecularWeight: 451.2695

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)NC(=O)C(=CC3=CC(=C(C=C3)OCC(=O)O)Br)C#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=O)C(=CC3=CC(=C(C=C3)OCC(=O)O)Br)C#N

InChI

InChI=1S/C22H15BrN2O4/c23-19-10-14(5-8-20(19)29-13-21(26)27)9-17(12-24)22(28)25-18-7-6-15-3-1-2-4-16(15)11-18/h1-11H,13H2,(H,25,28)(H,26,27)