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

Systemtic Name: 2-[2-bromanyl-4-[(Z)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(Z)-3-anilino-2-cyano-3-oxo-prop-1-enyl]-2-bromo-phenoxy]acetic acid CAS Name: 2-[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-bromophenoxy]acetic acid IUPAC Name: 2-[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-bromophenoxy]acetic acid Traditional Name: 2-[4-[(Z)-3-anilino-2-cyano-3-keto-prop-1-enyl]-2-bromo-phenoxy]acetic acid Formula: C18H13BrN2O4 MolecularWeight: 401.21082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN2O4/c19-15-9-12(6-7-16(15)25-11-17(22)23)8-13(10-20)18(24)21-14-4-2-1-3-5-14/h1-9H,11H2,(H,21,24)(H,22,23)/b13-8-