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

Systemtic Name: methyl 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoate Openeye Name: methyl 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetate CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetate Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetic acid methyl ester Formula: C13H16N2O7S MolecularWeight: 344.34034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O7S/c1-21-13(16)9-22-12-5-4-10(8-11(12)15(17)18)23(19,20)14-6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3