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

Systemtic Name: methyl 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanoate Openeye Name: methyl 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanoate CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propanoate Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propionic acid methyl ester Formula: C14H18N2O7S MolecularWeight: 358.36692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O7S/c1-10(14(17)22-2)23-13-6-5-11(9-12(13)16(18)19)24(20,21)15-7-3-4-8-15/h5-6,9-10H,3-4,7-8H2,1-2H3