methyl 3-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenoxy)benzoate

Systemtic Name: methyl 3-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenoxy)benzoate Openeye Name: methyl 3-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenoxy)benzoate CAS Name: 3-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenoxy]benzoic acid methyl ester IUPAC Name: methyl 3-(4-nitro-2-pyrrolidin-1-ylsulfonylphenoxy)benzoate Traditional Name: 3-(4-nitro-2-pyrrolidinosulfonyl-phenoxy)benzoic acid methyl ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7S/c1-26-18(21)13-5-4-6-15(11-13)27-16-8-7-14(20(22)23)12-17(16)28(24,25)19-9-2-3-10-19/h4-8,11-12H,2-3,9-10H2,1H3