2-chloranyl-5-[5-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[5-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 2-chloro-5-[5-[(E)-2-cyano-3-(methylamino)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 2-chloro-5-[5-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-5-[5-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-5-[5-[(E)-2-cyano-3-keto-3-(methylamino)prop-1-enyl]-2-furyl]benzoic acid Formula: C16H11ClN2O4 MolecularWeight: 330.72254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=CC1=CC=C(O1)C2=CC(=C(C=C2)Cl)C(=O)O)C#N

Isomeric SMILES

CNC(=O)/C(=C/C1=CC=C(O1)C2=CC(=C(C=C2)Cl)C(=O)O)/C#N

InChI

InChI=1S/C16H11ClN2O4/c1-19-15(20)10(8-18)6-11-3-5-14(23-11)9-2-4-13(17)12(7-9)16(21)22/h2-7H,1H3,(H,19,20)(H,21,22)/b10-6+