2-[(2E)-5-methyl-2-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]ethanenitrile

Systemtic Name: 2-[(2E)-5-methyl-2-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]ethanenitrile Openeye Name: 2-[(2E)-5-methyl-2-(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]acetonitrile CAS Name: 2-[(2E)-5-methyl-2-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)-1,3-dihydroimidazol-4-yl]acetonitrile IUPAC Name: 2-[(2E)-5-methyl-2-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]acetonitrile Traditional Name: 2-[(2E)-2-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)-5-methyl-4-imidazolin-4-yl]acetonitrile Formula: C12H10N4O3 MolecularWeight: 258.2328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C2C=CC(=O)C(=C2)[N+](=O)[O-])N1)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O3/c1-7-9(4-5-13)15-12(14-7)8-2-3-11(17)10(6-8)16(18)19/h2-3,6,14-15H,4H2,1H3/b12-8+