3-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)butan-2-one

Systemtic Name: 3-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)butan-2-one Openeye Name: 3-(4-morpholinosulfonyl-2-nitro-phenoxy)butan-2-one CAS Name: 3-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]-2-butanone IUPAC Name: 3-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)butan-2-one Traditional Name: 3-(4-morpholinosulfonyl-2-nitro-phenoxy)butan-2-one Formula: C14H18N2O7S MolecularWeight: 358.36692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O7S/c1-10(17)11(2)23-14-4-3-12(9-13(14)16(18)19)24(20,21)15-5-7-22-8-6-15/h3-4,9,11H,5-8H2,1-2H3