2-[2-(2,2-dimethyl-1,3-dioxan-5-ylidene)-2-nitro-ethyl]-3-methyl-benzo[f]benzimidazole-4,9-dione

Systemtic Name: 2-[2-(2,2-dimethyl-1,3-dioxan-5-ylidene)-2-nitro-ethyl]-3-methyl-benzo[f]benzimidazole-4,9-dione Openeye Name: 2-[2-(2,2-dimethyl-1,3-dioxan-5-ylidene)-2-nitro-ethyl]-3-methyl-benzo[f]benzimidazole-4,9-dione CAS Name: 2-[2-(2,2-dimethyl-1,3-dioxan-5-ylidene)-2-nitroethyl]-3-methylbenzo[f]benzimidazole-4,9-dione IUPAC Name: 2-[2-(2,2-dimethyl-1,3-dioxan-5-ylidene)-2-nitroethyl]-3-methylbenzo[f]benzimidazole-4,9-dione Traditional Name: 2-[2-(2,2-dimethyl-1,3-dioxan-5-ylidene)-2-nitro-ethyl]-3-methyl-benzo[f]benzimidazole-4,9-quinone Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(=C(CC2=NC3=C(N2C)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-])CO1)C

Isomeric SMILES

CC1(OCC(=C(CC2=NC3=C(N2C)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-])CO1)C

InChI

InChI=1S/C20H19N3O6/c1-20(2)28-9-11(10-29-20)14(23(26)27)8-15-21-16-17(22(15)3)19(25)13-7-5-4-6-12(13)18(16)24/h4-7H,8-10H2,1-3H3