methyl 2-[4-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]ethanoate

Systemtic Name: methyl 2-[4-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]ethanoate Openeye Name: methyl 2-[4-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]acetate CAS Name: 2-[4-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenoxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-nitro-2-pyrrolidin-1-ylsulfonylphenoxy)phenyl]acetate Traditional Name: 2-[4-(4-nitro-2-pyrrolidinosulfonyl-phenoxy)phenyl]acetic acid methyl ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H20N2O7S/c1-27-19(22)12-14-4-7-16(8-5-14)28-17-9-6-15(21(23)24)13-18(17)29(25,26)20-10-2-3-11-20/h4-9,13H,2-3,10-12H2,1H3