2-azanyl-4-(5-bromanyl-2-oxidanyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-bromanyl-2-oxidanyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-hydroxy-phenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-hydroxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(5-bromo-2-hydroxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-hydroxy-phenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C16H13BrN2O3 MolecularWeight: 361.19002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)O)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)O)C(=O)C1

InChI

InChI=1S/C16H13BrN2O3/c17-8-4-5-11(20)9(6-8)14-10(7-18)16(19)22-13-3-1-2-12(21)15(13)14/h4-6,14,20H,1-3,19H2