2,2-dimethyl-4-(6-nitropyridin-3-yl)piperazine-1-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-(6-nitropyridin-3-yl)piperazine-1-carboxylic acid Openeye Name: 2,2-dimethyl-4-(6-nitro-3-pyridyl)piperazine-1-carboxylic acid CAS Name: 2,2-dimethyl-4-(6-nitro-3-pyridinyl)-1-piperazinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-(6-nitropyridin-3-yl)piperazine-1-carboxylic acid Traditional Name: 2,2-dimethyl-4-(6-nitro-3-pyridyl)piperazine-1-carboxylic acid Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN1C(=O)O)C2=CN=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(CN(CCN1C(=O)O)C2=CN=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C12H16N4O4/c1-12(2)8-14(5-6-15(12)11(17)18)9-3-4-10(13-7-9)16(19)20/h3-4,7H,5-6,8H2,1-2H3,(H,17,18)