methyl 2-chloranyl-5-[5-(2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl)furan-2-yl]benzoate

Systemtic Name: methyl 2-chloranyl-5-[5-(2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl)furan-2-yl]benzoate Openeye Name: methyl 5-[5-(3-anilino-2-cyano-3-oxo-prop-1-enyl)-2-furyl]-2-chloro-benzoate CAS Name: 5-[5-(3-anilino-2-cyano-3-oxoprop-1-enyl)-2-furanyl]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 5-[5-(3-anilino-2-cyano-3-oxoprop-1-enyl)furan-2-yl]-2-chlorobenzoate Traditional Name: 5-[5-(3-anilino-2-cyano-3-keto-prop-1-enyl)-2-furyl]-2-chloro-benzoic acid methyl ester Formula: C22H15ClN2O4 MolecularWeight: 406.8185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H15ClN2O4/c1-28-22(27)18-12-14(7-9-19(18)23)20-10-8-17(29-20)11-15(13-24)21(26)25-16-5-3-2-4-6-16/h2-12H,1H3,(H,25,26)