ethyl N-[3-methyl-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: ethyl N-[3-methyl-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: ethyl N-[2-methyl-1-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]propyl]carbamate CAS Name: N-[3-methyl-1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-1-oxobutan-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-methyl-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-1-oxobutan-2-yl]carbamate Traditional Name: N-[2-methyl-1-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]propyl]carbamic acid ethyl ester Formula: C17H25N5O5 MolecularWeight: 379.4109

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(C(C)C)C(=O)N1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)NC(C(C)C)C(=O)N1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O5/c1-4-27-17(24)19-15(12(2)3)16(23)21-9-7-20(8-10-21)13-5-6-14(18-11-13)22(25)26/h5-6,11-12,15H,4,7-10H2,1-3H3,(H,19,24)