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

Systemtic Name: 2-[5-bromanyl-4-(2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl)-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-(3-anilino-2-cyano-3-oxo-prop-1-enyl)-5-bromo-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-(3-anilino-2-cyano-3-oxoprop-1-enyl)-5-bromo-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-(3-anilino-2-cyano-3-oxoprop-1-enyl)-5-bromo-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-(3-anilino-2-cyano-3-keto-prop-1-enyl)-5-bromo-2-methoxy-phenoxy]acetic acid Formula: C19H15BrN2O5 MolecularWeight: 431.2368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2)Br)OCC(=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2)Br)OCC(=O)O

InChI

InChI=1S/C19H15BrN2O5/c1-26-16-8-12(15(20)9-17(16)27-11-18(23)24)7-13(10-21)19(25)22-14-5-3-2-4-6-14/h2-9H,11H2,1H3,(H,22,25)(H,23,24)