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

Systemtic Name: 4-[5-[(E)-3-[(2-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: 4-[5-[(E)-3-(2-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-3-(2-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-furanyl]benzoate IUPAC Name: 4-[5-[(E)-3-(2-bromoanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-3-(2-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)NC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)[O-])C#N)Br

Isomeric SMILES

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

InChI

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