ethyl 1-ethyl-3-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate chloride

Systemtic Name: ethyl 1-ethyl-3-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate chloride Openeye Name: ethyl 1-ethyl-3-[2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate chloride CAS Name: 1-ethyl-3-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-ethyl-3-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-2-methylbenzimidazol-1-ium-5-carboxylate chloride Traditional Name: 1-ethyl-3-[2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester chloride Formula: C22H25ClN4O6 MolecularWeight: 476.9101

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C.[Cl-]

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C.[Cl-]

InChI

InChI=1S/C22H24N4O6.ClH/c1-5-24-14(3)25(19-11-15(7-10-18(19)24)22(28)32-6-2)13-21(27)23-17-9-8-16(26(29)30)12-20(17)31-4;/h7-12H,5-6,13H2,1-4H3;1H