(6E)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methylene]-3-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene]-3-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methylene]-3-nitro-cyclohexa-2,4-dien-1-one Formula: C13H12N4O3 MolecularWeight: 272.25938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC=C2C=CC(=CC2=O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)N/C=C/2\C=CC(=CC2=O)[N+](=O)[O-])C

InChI

InChI=1S/C13H12N4O3/c1-8-5-9(2)16-13(15-8)14-7-10-3-4-11(17(19)20)6-12(10)18/h3-7H,1-2H3,(H,14,15,16)/b10-7+