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

Systemtic Name: (4E)-4-[[(2-azanyl-4-phenyl-imidazol-1-yl)amino]methylidene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[[(2-amino-4-phenyl-imidazol-1-yl)amino]methylene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[[(2-amino-4-phenyl-1-imidazolyl)amino]methylidene]-2-methoxy-6-nitro-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[[(2-amino-4-phenylimidazol-1-yl)amino]methylidene]-2-methoxy-6-nitrocyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[[(2-amino-4-phenyl-imidazol-1-yl)amino]methylene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O4/c1-26-15-8-11(7-14(16(15)23)22(24)25)9-19-21-10-13(20-17(21)18)12-5-3-2-4-6-12/h2-10,19H,1H3,(H2,18,20)/b11-9+