(6Z)-6-[4-butyl-5-(4-ethylphenyl)-3-oxidanyl-1H-imidazol-2-ylidene]-2,4-dinitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[4-butyl-5-(4-ethylphenyl)-3-oxidanyl-1H-imidazol-2-ylidene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[4-butyl-5-(4-ethylphenyl)-3-hydroxy-1H-imidazol-2-ylidene]-2,4-dinitro-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[4-butyl-5-(4-ethylphenyl)-3-hydroxy-1H-imidazol-2-ylidene]-2,4-dinitro-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[4-butyl-5-(4-ethylphenyl)-3-hydroxy-1H-imidazol-2-ylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[5-butyl-4-(4-ethylphenyl)-1-hydroxy-4-imidazolin-2-ylidene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=C2C=C(C=C(C2=O)[N+](=O)[O-])[N+](=O)[O-])N1O)C3=CC=C(C=C3)CC

Isomeric SMILES

CCCCC1=C(N/C(=C/2\C=C(C=C(C2=O)[N+](=O)[O-])[N+](=O)[O-])/N1O)C3=CC=C(C=C3)CC

InChI

InChI=1S/C21H22N4O6/c1-3-5-6-17-19(14-9-7-13(4-2)8-10-14)22-21(23(17)27)16-11-15(24(28)29)12-18(20(16)26)25(30)31/h7-12,22,27H,3-6H2,1-2H3/b21-16-