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

Systemtic Name: 2-azanyl-4-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 4-(4-allyloxy-3-bromo-5-methoxy-phenyl)-2-amino-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 4-(4-allyloxy-3-bromo-5-methoxy-phenyl)-2-amino-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br)OCC=C

InChI

InChI=1S/C20H19BrN2O4/c1-3-7-26-19-13(21)8-11(9-16(19)25-2)17-12(10-22)20(23)27-15-6-4-5-14(24)18(15)17/h3,8-9,17H,1,4-7,23H2,2H3