1-[[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]methyl]-5-nitro-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-5-nitro-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-5-nitro-2-oxopyridine-3-carbonitrile Traditional Name: 1-[[(5-bromo-2-methoxy-benzyl)-methyl-amino]methyl]-2-keto-5-nitro-nicotinonitrile Formula: C16H15BrN4O4 MolecularWeight: 407.2187

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Br)OC)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Br)OC)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H15BrN4O4/c1-19(8-12-5-13(17)3-4-15(12)25-2)10-20-9-14(21(23)24)6-11(7-18)16(20)22/h3-6,9H,8,10H2,1-2H3