ethyl 4-(3,5-dinitropyridin-4-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(3,5-dinitropyridin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(3,5-dinitro-4-pyridyl)piperazine-1-carboxylate CAS Name: 4-(3,5-dinitro-4-pyridinyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,5-dinitropyridin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(3,5-dinitro-4-pyridyl)piperazine-1-carboxylic acid ethyl ester Formula: C12H15N5O6 MolecularWeight: 325.2774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O6/c1-2-23-12(18)15-5-3-14(4-6-15)11-9(16(19)20)7-13-8-10(11)17(21)22/h7-8H,2-6H2,1H3