5-[5-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)furan-2-yl]-2-chloranyl-benzoic acid

Systemtic Name: 5-[5-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)furan-2-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-furyl]-2-chloro-benzoic acid CAS Name: 5-[5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-2-furanyl]-2-chlorobenzoic acid IUPAC Name: 5-[5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)furan-2-yl]-2-chlorobenzoic acid Traditional Name: 5-[5-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-2-furyl]-2-chloro-benzoic acid Formula: C23H19ClN2O5 MolecularWeight: 438.86036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)C(=O)C1)C

InChI

InChI=1S/C23H19ClN2O5/c1-23(2)8-15(27)20-18(9-23)31-21(26)13(10-25)19(20)17-6-5-16(30-17)11-3-4-14(24)12(7-11)22(28)29/h3-7,19H,8-9,26H2,1-2H3,(H,28,29)