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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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