1-[3-methoxy-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]ethanone

Systemtic Name: 1-[3-methoxy-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]ethanone Openeye Name: 1-[3-methoxy-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]ethanone CAS Name: 1-[3-methoxy-4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]phenyl]ethanone IUPAC Name: 1-[3-methoxy-4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)phenyl]ethanone Traditional Name: 1-[3-methoxy-4-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)phenyl]ethanone Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O7S/c1-13(22)14-5-7-18(19(11-14)27-2)28-17-8-6-15(12-16(17)21(23)24)29(25,26)20-9-3-4-10-20/h5-8,11-12H,3-4,9-10H2,1-2H3