butyl 2-[1,2-bis(chloranyl)-4-nitro-4-phenyl-pyrazolidin-3-yl]oxypropanoate

Systemtic Name: butyl 2-[1,2-bis(chloranyl)-4-nitro-4-phenyl-pyrazolidin-3-yl]oxypropanoate Openeye Name: butyl 2-(1,2-dichloro-4-nitro-4-phenyl-pyrazolidin-3-yl)oxypropanoate CAS Name: 2-[(1,2-dichloro-4-nitro-4-phenyl-3-pyrazolidinyl)oxy]propanoic acid butyl ester IUPAC Name: butyl 2-(1,2-dichloro-4-nitro-4-phenylpyrazolidin-3-yl)oxypropanoate Traditional Name: 2-(1,2-dichloro-4-nitro-4-phenyl-pyrazolidin-3-yl)oxypropionic acid butyl ester Formula: C16H21Cl2N3O5 MolecularWeight: 406.26104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)OC1C(CN(N1Cl)Cl)(C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C(C)OC1C(CN(N1Cl)Cl)(C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21Cl2N3O5/c1-3-4-10-25-14(22)12(2)26-15-16(21(23)24,11-19(17)20(15)18)13-8-6-5-7-9-13/h5-9,12,15H,3-4,10-11H2,1-2H3