(4E)-4-[[[2-azanyl-4-(3-nitrophenyl)imidazol-1-yl]amino]methylidene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-[[[2-azanyl-4-(3-nitrophenyl)imidazol-1-yl]amino]methylidene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[[[2-amino-4-(3-nitrophenyl)imidazol-1-yl]amino]methylene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[[[2-amino-4-(3-nitrophenyl)-1-imidazolyl]amino]methylidene]-2-methoxy-6-nitro-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[[[2-amino-4-(3-nitrophenyl)imidazol-1-yl]amino]methylidene]-2-methoxy-6-nitrocyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[[[2-amino-4-(3-nitrophenyl)imidazol-1-yl]amino]methylene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one Formula: C17H14N6O6 MolecularWeight: 398.32966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2C=C(N=C2N)C3=CC(=CC=C3)[N+](=O)[O-])C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C/C(=C/NN2C=C(N=C2N)C3=CC(=CC=C3)[N+](=O)[O-])/C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O6/c1-29-15-6-10(5-14(16(15)24)23(27)28)8-19-21-9-13(20-17(21)18)11-3-2-4-12(7-11)22(25)26/h2-9,19H,1H3,(H2,18,20)/b10-8+