1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-nitro-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-nitro-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-nitro-2-oxopyridine-3-carbonitrile Traditional Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-keto-5-nitro-nicotinonitrile Formula: C14H8BrN3O5 MolecularWeight: 378.13442

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-])Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-])Br

InChI

InChI=1S/C14H8BrN3O5/c15-11-3-13-12(22-7-23-13)2-9(11)5-17-6-10(18(20)21)1-8(4-16)14(17)19/h1-3,6H,5,7H2