2-azanyl-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methyl-5-oxidanylidene-4H-pyrano[3,2-c]quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methyl-5-oxidanylidene-4H-pyrano[3,2-c]quinoline-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-keto-6-methyl-4H-pyrano[3,2-c]quinoline-3-carbonitrile Formula: C21H16BrN3O4 MolecularWeight: 454.27344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C(C1=O)C(C(=C(O3)N)C#N)C4=CC(=C(C(=C4)Br)O)OC

Isomeric SMILES

CN1C2=CC=CC=C2C3=C(C1=O)C(C(=C(O3)N)C#N)C4=CC(=C(C(=C4)Br)O)OC

InChI

InChI=1S/C21H16BrN3O4/c1-25-14-6-4-3-5-11(14)19-17(21(25)27)16(12(9-23)20(24)29-19)10-7-13(22)18(26)15(8-10)28-2/h3-8,16,26H,24H2,1-2H3