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

Systemtic Name: 2-[4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-2-chloranyl-phenoxy]ethanoic acid Openeye Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-chloro-phenoxy]acetic acid CAS Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-2-chlorophenoxy]acetic acid IUPAC Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-chlorophenoxy]acetic acid Traditional Name: 2-[4-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-2-chloro-phenoxy]acetic acid Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O5/c1-20(2)6-13(24)18-15(7-20)28-19(23)11(8-22)17(18)10-3-4-14(12(21)5-10)27-9-16(25)26/h3-5,17H,6-7,9,23H2,1-2H3,(H,25,26)