2-azanyl-4-(5-bromanyl-2-prop-2-ynoxy-phenyl)-7-oxidanyl-4H-chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-bromanyl-2-prop-2-ynoxy-phenyl)-7-oxidanyl-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-prop-2-ynoxy-phenyl)-7-hydroxy-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-prop-2-ynoxyphenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(5-bromo-2-prop-2-ynoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-propargyloxy-phenyl)-7-hydroxy-4H-chromene-3-carbonitrile Formula: C19H13BrN2O3 MolecularWeight: 397.22212

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)Br)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)Br)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N

InChI

InChI=1S/C19H13BrN2O3/c1-2-7-24-16-6-3-11(20)8-14(16)18-13-5-4-12(23)9-17(13)25-19(22)15(18)10-21/h1,3-6,8-9,18,23H,7,22H2