ethyl 2-[4-(5-nitropyridin-2-yl)piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(5-nitropyridin-2-yl)piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-(5-nitro-2-pyridyl)piperazin-1-yl]acetate CAS Name: 2-[4-(5-nitro-2-pyridinyl)-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(5-nitropyridin-2-yl)piperazin-1-yl]acetate Traditional Name: 2-[4-(5-nitro-2-pyridyl)piperazino]acetic acid ethyl ester Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O4/c1-2-21-13(18)10-15-5-7-16(8-6-15)12-4-3-11(9-14-12)17(19)20/h3-4,9H,2,5-8,10H2,1H3