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

Systemtic Name: 3-[5-[(E)-3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: 3-[5-[(E)-3-(4-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 3-[5-[(E)-3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[(E)-3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(E)-3-(4-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(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrN2O4/c22-16-4-6-17(7-5-16)24-20(25)15(12-23)11-18-8-9-19(28-18)13-2-1-3-14(10-13)21(26)27/h1-11H,(H,24,25)(H,26,27)/p-1/b15-11+