3-[5-[2-cyano-2-(3-nitrophenyl)ethenyl]furan-2-yl]-2-methyl-benzoic acid

Systemtic Name: 3-[5-[2-cyano-2-(3-nitrophenyl)ethenyl]furan-2-yl]-2-methyl-benzoic acid Openeye Name: 3-[5-[2-cyano-2-(3-nitrophenyl)vinyl]-2-furyl]-2-methyl-benzoic acid CAS Name: 3-[5-[2-cyano-2-(3-nitrophenyl)ethenyl]-2-furanyl]-2-methylbenzoic acid IUPAC Name: 3-[5-[2-cyano-2-(3-nitrophenyl)ethenyl]furan-2-yl]-2-methylbenzoic acid Traditional Name: 3-[5-[2-cyano-2-(3-nitrophenyl)vinyl]-2-furyl]-2-methyl-benzoic acid Formula: C21H14N2O5 MolecularWeight: 374.34626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C(C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C(C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O5/c1-13-18(6-3-7-19(13)21(24)25)20-9-8-17(28-20)11-15(12-22)14-4-2-5-16(10-14)23(26)27/h2-11H,1H3,(H,24,25)