2-[4-[(E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoate

Systemtic Name: 2-[4-[(E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoate Openeye Name: 2-[4-[(E)-3-(3-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]phenoxy]acetate CAS Name: 2-[4-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetate IUPAC Name: 2-[4-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetate Traditional Name: 2-[4-[(E)-3-(3-bromoanilino)-2-cyano-3-keto-prop-1-enyl]phenoxy]acetate Formula: C18H12BrN2O4- MolecularWeight: 400.20288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)/C(=C/C2=CC=C(C=C2)OCC(=O)[O-])/C#N

InChI

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