6-[[(5-bromanylpyridin-2-yl)amino]methylidene]-4-methyl-2-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(5-bromanylpyridin-2-yl)amino]methylidene]-4-methyl-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(5-bromo-2-pyridyl)amino]methylene]-4-methyl-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[(5-bromo-2-pyridinyl)amino]methylidene]-4-methyl-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(5-bromopyridin-2-yl)amino]methylidene]-4-methyl-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[(5-bromo-2-pyridyl)amino]methylene]-4-methyl-2-nitro-cyclohexa-2,4-dien-1-one Formula: C13H10BrN3O3 MolecularWeight: 336.1408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNC2=NC=C(C=C2)Br)C(=O)C(=C1)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CNC2=NC=C(C=C2)Br)C(=O)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H10BrN3O3/c1-8-4-9(13(18)11(5-8)17(19)20)6-15-12-3-2-10(14)7-16-12/h2-7H,1H3,(H,15,16)