2-azanyl-4-(5-bromanyl-2,4-diethoxy-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-bromanyl-2,4-diethoxy-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2,4-diethoxy-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2,4-diethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(5-bromo-2,4-diethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2,4-diethoxy-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)Br)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)Br)OCC

InChI

InChI=1S/C22H25BrN2O4/c1-5-27-16-8-17(28-6-2)14(23)7-12(16)19-13(11-24)21(25)29-18-10-22(3,4)9-15(26)20(18)19/h7-8,19H,5-6,9-10,25H2,1-4H3