1-[(4-bromophenyl)methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[(4-bromophenyl)methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[(4-bromophenyl)methyl]-5-nitro-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[(4-bromophenyl)methyl]-5-nitro-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[(4-bromophenyl)methyl]-5-nitro-2-oxopyridine-3-carbonitrile Traditional Name: 1-(4-bromobenzyl)-2-keto-5-nitro-nicotinonitrile Formula: C13H8BrN3O3 MolecularWeight: 334.12492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-])Br

InChI

InChI=1S/C13H8BrN3O3/c14-11-3-1-9(2-4-11)7-16-8-12(17(19)20)5-10(6-15)13(16)18/h1-5,8H,7H2