O1-methyl O4-[3-(6-nitro-1H-benzimidazol-2-yl)propyl] benzene-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-[3-(6-nitro-1H-benzimidazol-2-yl)propyl] benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-[3-(6-nitro-1H-benzimidazol-2-yl)propyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[3-(6-nitro-1H-benzimidazol-2-yl)propyl] ester IUPAC Name: 1-O-methyl 4-O-[3-(6-nitro-1H-benzimidazol-2-yl)propyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[3-(6-nitro-1H-benzimidazol-2-yl)propyl] ester Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)OCCCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)OCCCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6/c1-27-18(23)12-4-6-13(7-5-12)19(24)28-10-2-3-17-20-15-9-8-14(22(25)26)11-16(15)21-17/h4-9,11H,2-3,10H2,1H3,(H,20,21)