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

Systemtic Name: methyl 3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)benzoate Openeye Name: methyl 3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)benzoate CAS Name: 3-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]benzoic acid methyl ester IUPAC Name: methyl 3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)benzoate Traditional Name: 3-(2-nitro-4-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)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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