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

Systemtic Name: 2-[5-[(Z)-3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: 2-[5-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 2-[5-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-furanyl]benzoate IUPAC Name: 2-[5-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 2-[5-[(Z)-3-(3-bromoanilino)-2-cyano-3-keto-prop-1-enyl]-2-furyl]benzoate Formula: C21H12BrN2O4- MolecularWeight: 436.23498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC(=CC=C3)Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(O2)/C=C(/C#N)\C(=O)NC3=CC(=CC=C3)Br)C(=O)[O-]

InChI

InChI=1S/C21H13BrN2O4/c22-14-4-3-5-15(11-14)24-20(25)13(12-23)10-16-8-9-19(28-16)17-6-1-2-7-18(17)21(26)27/h1-11H,(H,24,25)(H,26,27)/p-1/b13-10-