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

Systemtic Name: 4-[5-[(Z)-3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: 4-[5-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-furanyl]benzoate IUPAC Name: 4-[5-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[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(=CC(=C1)Br)NC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)[O-])C#N

Isomeric SMILES

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

InChI

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