ethyl 4-(3-nitropyridin-4-yl)piperazine-1-carboxylate; 1-(3-methoxypyridin-4-yl)piperazine

Systemtic Name: ethyl 4-(3-nitropyridin-4-yl)piperazine-1-carboxylate; 1-(3-methoxypyridin-4-yl)piperazine Openeye Name: ethyl 4-(3-nitro-4-pyridyl)piperazine-1-carboxylate; 1-(3-methoxy-4-pyridyl)piperazine CAS Name: 1-(3-methoxy-4-pyridinyl)piperazine; 4-(3-nitro-4-pyridinyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-nitropyridin-4-yl)piperazine-1-carboxylate; 1-(3-methoxypyridin-4-yl)piperazine Traditional Name: 1-(3-methoxy-4-pyridyl)piperazine; 4-(3-nitro-4-pyridyl)piperazine-1-carboxylic acid ethyl ester Formula: C22H31N7O5 MolecularWeight: 473.52544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=NC=C2)[N+](=O)[O-].COC1=C(C=CN=C1)N2CCNCC2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=NC=C2)[N+](=O)[O-].COC1=C(C=CN=C1)N2CCNCC2

InChI

InChI=1S/C12H16N4O4.C10H15N3O/c1-2-20-12(17)15-7-5-14(6-8-15)10-3-4-13-9-11(10)16(18)19;1-14-10-8-12-3-2-9(10)13-6-4-11-5-7-13/h3-4,9H,2,5-8H2,1H3;2-3,8,11H,4-7H2,1H3