ethyl 1-ethyl-2-methyl-3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-[2-(4-nitroanilino)-2-oxo-ethyl]benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[2-(4-nitroanilino)-2-oxoethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[2-(4-nitroanilino)-2-oxoethyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-keto-2-(4-nitroanilino)ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C21H23N4O5+ MolecularWeight: 411.43112

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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=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5/c1-4-23-14(3)24(19-12-15(6-11-18(19)23)21(27)30-5-2)13-20(26)22-16-7-9-17(10-8-16)25(28)29/h6-12H,4-5,13H2,1-3H3/p+1