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

Systemtic Name: [4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-2-ethoxy-phenyl] ethanoate Openeye Name: [4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-ethoxy-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-ethoxyphenyl] ester IUPAC Name: [4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-ethoxyphenyl] acetate Traditional Name: acetic acid [4-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-2-ethoxy-phenyl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OC(=O)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OC(=O)C

InChI

InChI=1S/C22H24N2O5/c1-5-27-17-8-13(6-7-16(17)28-12(2)25)19-14(11-23)21(24)29-18-10-22(3,4)9-15(26)20(18)19/h6-8,19H,5,9-10,24H2,1-4H3