1-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[(4-bromo-2,5-dimethoxy-phenyl)methyl]-5-nitro-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-5-nitro-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-5-nitro-2-oxopyridine-3-carbonitrile Traditional Name: 1-(4-bromo-2,5-dimethoxy-benzyl)-2-keto-5-nitro-nicotinonitrile Formula: C15H12BrN3O5 MolecularWeight: 394.17688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-])OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-])OC)Br

InChI

InChI=1S/C15H12BrN3O5/c1-23-13-5-12(16)14(24-2)4-10(13)7-18-8-11(19(21)22)3-9(6-17)15(18)20/h3-5,8H,7H2,1-2H3