methyl 4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)benzoate

Systemtic Name: methyl 4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)benzoate Openeye Name: methyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)benzoate CAS Name: 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)benzoate Traditional Name: 4-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)benzoic acid methyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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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)C(=O)OC)C(=O)C1)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4/c1-20(2)8-14(23)17-15(9-20)26-18(22)13(10-21)16(17)11-4-6-12(7-5-11)19(24)25-3/h4-7,16H,8-9,22H2,1-3H3