(4E)-4-[[(2-azanyl-4-methyl-imidazol-1-yl)amino]methylidene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-[[(2-azanyl-4-methyl-imidazol-1-yl)amino]methylidene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[[(2-amino-4-methyl-imidazol-1-yl)amino]methylene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[[(2-amino-4-methyl-1-imidazolyl)amino]methylidene]-2-methoxy-6-nitro-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[[(2-amino-4-methylimidazol-1-yl)amino]methylidene]-2-methoxy-6-nitrocyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[[(2-amino-4-methyl-imidazol-1-yl)amino]methylene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one Formula: C12H13N5O4 MolecularWeight: 291.26272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=N1)N)NC=C2C=C(C(=O)C(=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CN(C(=N1)N)N/C=C/2\C=C(C(=O)C(=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O4/c1-7-6-16(12(13)15-7)14-5-8-3-9(17(19)20)11(18)10(4-8)21-2/h3-6,14H,1-2H3,(H2,13,15)/b8-5+