1,3-bis(2-methoxyethyl)-2-methyl-5-nitro-benzo[f]benzimidazol-3-ium-4,9-dione

Systemtic Name: 1,3-bis(2-methoxyethyl)-2-methyl-5-nitro-benzo[f]benzimidazol-3-ium-4,9-dione Openeye Name: 1,3-bis(2-methoxyethyl)-2-methyl-5-nitro-benzo[f]benzimidazol-3-ium-4,9-dione CAS Name: 1,3-bis(2-methoxyethyl)-2-methyl-5-nitrobenzo[f]benzimidazol-3-ium-4,9-dione IUPAC Name: 1,3-bis(2-methoxyethyl)-2-methyl-5-nitrobenzo[f]benzimidazol-3-ium-4,9-dione Traditional Name: 1,3-bis(2-methoxyethyl)-2-methyl-5-nitro-benzo[f]benzimidazol-3-ium-4,9-quinone Formula: C18H20N3O6+ MolecularWeight: 374.3679

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1CCOC)C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])CCOC

Isomeric SMILES

CC1=[N+](C2=C(N1CCOC)C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])CCOC

InChI

InChI=1S/C18H20N3O6/c1-11-19(7-9-26-2)15-16(20(11)8-10-27-3)18(23)14-12(17(15)22)5-4-6-13(14)21(24)25/h4-6H,7-10H2,1-3H3/q+1