ethyl 4-[2-ethoxyethyl-(3-nitropyridin-2-yl)carbamoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-ethoxyethyl-(3-nitropyridin-2-yl)carbamoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-ethoxyethyl-(3-nitro-2-pyridyl)carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[2-ethoxyethyl-(3-nitro-2-pyridinyl)amino]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-ethoxyethyl-(3-nitropyridin-2-yl)carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[2-ethoxyethyl-(3-nitro-2-pyridyl)carbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H25N5O6 MolecularWeight: 395.4103

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN(C1=C(C=CC=N1)[N+](=O)[O-])C(=O)N2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCOCCN(C1=C(C=CC=N1)[N+](=O)[O-])C(=O)N2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C17H25N5O6/c1-3-27-13-12-21(15-14(22(25)26)6-5-7-18-15)16(23)19-8-10-20(11-9-19)17(24)28-4-2/h5-7H,3-4,8-13H2,1-2H3