4-[5-[(Z)-3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]-2-chloranyl-benzoate

Systemtic Name: 4-[5-[(Z)-3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]-2-chloranyl-benzoate Openeye Name: 4-[5-[(Z)-3-(4-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]-2-chloro-benzoate CAS Name: 4-[5-[(Z)-3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-furanyl]-2-chlorobenzoate IUPAC Name: 4-[5-[(Z)-3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-chlorobenzoate Traditional Name: 4-[5-[(Z)-3-(4-bromoanilino)-2-cyano-3-keto-prop-1-enyl]-2-furyl]-2-chloro-benzoate Formula: C21H11BrClN2O4- MolecularWeight: 470.68004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)C(=O)[O-])Cl)C#N)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)/C(=C\C2=CC=C(O2)C3=CC(=C(C=C3)C(=O)[O-])Cl)/C#N)Br

InChI

InChI=1S/C21H12BrClN2O4/c22-14-2-4-15(5-3-14)25-20(26)13(11-24)9-16-6-8-19(29-16)12-1-7-17(21(27)28)18(23)10-12/h1-10H,(H,25,26)(H,27,28)/p-1/b13-9-