[4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-2-methoxy-phenyl] ethanoate

Systemtic Name: [4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-2-methoxy-phenyl] ethanoate Openeye Name: [4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-methoxy-phenyl] acetate CAS Name: acetic acid [4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-methoxyphenyl] acetate Traditional Name: acetic acid [4-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-2-methoxy-phenyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OC

InChI

InChI=1S/C21H22N2O5/c1-11(24)27-15-6-5-12(7-16(15)26-4)18-13(10-22)20(23)28-17-9-21(2,3)8-14(25)19(17)18/h5-7,18H,8-9,23H2,1-4H3