methyl 2-(bromomethyl)-5-cyano-4-(3-nitrophenyl)-6-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: methyl 2-(bromomethyl)-5-cyano-4-(3-nitrophenyl)-6-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: methyl 2-(bromomethyl)-5-cyano-4-(3-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate CAS Name: 2-(bromomethyl)-5-cyano-4-(3-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(bromomethyl)-5-cyano-4-(3-nitrophenyl)-6-oxo-1H-pyridine-3-carboxylate Traditional Name: 2-(bromomethyl)-5-cyano-6-keto-4-(3-nitrophenyl)-1H-pyridine-3-carboxylic acid methyl ester Formula: C15H10BrN3O5 MolecularWeight: 392.161

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=O)C(=C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)CBr

Isomeric SMILES

COC(=O)C1=C(NC(=O)C(=C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)CBr

InChI

InChI=1S/C15H10BrN3O5/c1-24-15(21)13-11(6-16)18-14(20)10(7-17)12(13)8-3-2-4-9(5-8)19(22)23/h2-5H,6H2,1H3,(H,18,20)