butyl 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoate

Systemtic Name: butyl 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoate Openeye Name: butyl 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetate CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetic acid butyl ester IUPAC Name: butyl 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetate Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetic acid butyl ester Formula: C16H22N2O7S MolecularWeight: 386.42008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O7S/c1-2-3-10-24-16(19)12-25-15-7-6-13(11-14(15)18(20)21)26(22,23)17-8-4-5-9-17/h6-7,11H,2-5,8-10,12H2,1H3