2-azanyl-4-(6-bromanyl-1,3-benzodioxol-5-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(6-bromanyl-1,3-benzodioxol-5-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C17H13BrN2O4 MolecularWeight: 389.20012

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3Br)OCO4)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3Br)OCO4)C(=O)C1

InChI

InChI=1S/C17H13BrN2O4/c18-10-5-14-13(22-7-23-14)4-8(10)15-9(6-19)17(20)24-12-3-1-2-11(21)16(12)15/h4-5,15H,1-3,7,20H2