2-azanyl-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-(2-methoxyethyl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-(2-methoxyethyl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridine-3-carbonitrile Openeye Name: 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile CAS Name: 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile IUPAC Name: 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile Traditional Name: 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-6-(2-methoxyethyl)-7-methyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile Formula: C20H18BrN3O5 MolecularWeight: 460.27802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3Br)OCO4)C(=O)N1CCOC

Isomeric SMILES

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3Br)OCO4)C(=O)N1CCOC

InChI

InChI=1S/C20H18BrN3O5/c1-10-5-16-18(20(25)24(10)3-4-26-2)17(12(8-22)19(23)29-16)11-6-14-15(7-13(11)21)28-9-27-14/h5-7,17H,3-4,9,23H2,1-2H3