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

Systemtic Name: 2-azanyl-4-(5-bromanyl-2-prop-2-ynoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-prop-2-ynoxy-phenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-prop-2-ynoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(5-bromo-2-prop-2-ynoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-propargyloxy-phenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C19H15BrN2O3 MolecularWeight: 399.238

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)Br)C2C(=C(OC3=C2C(=O)CCC3)N)C#N

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)Br)C2C(=C(OC3=C2C(=O)CCC3)N)C#N

InChI

InChI=1S/C19H15BrN2O3/c1-2-8-24-15-7-6-11(20)9-12(15)17-13(10-21)19(22)25-16-5-3-4-14(23)18(16)17/h1,6-7,9,17H,3-5,8,22H2