2-[(2Z)-2-[(1R,4S)-3-bicyclo[2.2.1]heptanylidene]-2-nitro-ethyl]-3-methyl-benzo[f]benzimidazole-4,9-dione

Systemtic Name: 2-[(2Z)-2-[(1R,4S)-3-bicyclo[2.2.1]heptanylidene]-2-nitro-ethyl]-3-methyl-benzo[f]benzimidazole-4,9-dione Openeye Name: 3-methyl-2-[(2Z)-2-nitro-2-[(1S,4R)-norbornan-2-ylidene]ethyl]benzo[f]benzimidazole-4,9-dione CAS Name: 2-[(2Z)-2-[(1R,4S)-3-bicyclo[2.2.1]heptanylidene]-2-nitroethyl]-3-methylbenzo[f]benzimidazole-4,9-dione IUPAC Name: 2-[(2Z)-2-[(1R,4S)-3-bicyclo[2.2.1]heptanylidene]-2-nitroethyl]-3-methylbenzo[f]benzimidazole-4,9-dione Traditional Name: 3-methyl-2-[(2Z)-2-nitro-2-[(1S,4R)-norbornan-2-ylidene]ethyl]benzo[f]benzimidazole-4,9-quinone Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)CC(=C4CC5CCC4C5)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)C/C(=C/4\C[C@@H]5CC[C@H]4C5)/[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4/c1-23-17(10-16(24(27)28)15-9-11-6-7-12(15)8-11)22-18-19(23)21(26)14-5-3-2-4-13(14)20(18)25/h2-5,11-12H,6-10H2,1H3/b16-15-/t11-,12+/m1/s1