2-azanyl-4-(4-bromanyl-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-bromanyl-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-1,3-benzodioxol-5-yl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C19H17BrN2O4 MolecularWeight: 417.25328

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C4=C(C=C3)OCO4)Br)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C4=C(C=C3)OCO4)Br)C(=O)C1)C

InChI

InChI=1S/C19H17BrN2O4/c1-19(2)5-11(23)15-13(6-19)26-18(22)10(7-21)14(15)9-3-4-12-17(16(9)20)25-8-24-12/h3-4,14H,5-6,8,22H2,1-2H3