ethyl 3-[[(1-ethyl-2-methyl-benzimidazol-5-yl)carbonylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[(1-ethyl-2-methyl-benzimidazol-5-yl)carbonylamino]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[(1-ethyl-2-methyl-benzimidazole-5-carbonyl)amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(1-ethyl-2-methyl-5-benzimidazolyl)-oxomethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(1-ethyl-2-methyl-benzimidazole-5-carbonyl)amino]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C21H21N5O6/c1-4-25-12(3)22-17-11-13(6-7-18(17)25)19(27)23-24-20(28)14-8-15(21(29)32-5-2)10-16(9-14)26(30)31/h6-11H,4-5H2,1-3H3,(H,23,27)(H,24,28)