ethyl 4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(1-methyl-5-nitro-2-benzimidazolyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1-methyl-5-nitrobenzimidazol-2-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O4/c1-3-25-16(22)20-8-6-19(7-9-20)11-15-17-13-10-12(21(23)24)4-5-14(13)18(15)2/h4-5,10H,3,6-9,11H2,1-2H3