5-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-1H-pyrazol-3-one

Systemtic Name: 5-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-1H-pyrazol-3-one Openeye Name: 5-methyl-2-(4-morpholinosulfonyl-2-nitro-phenyl)-1H-pyrazol-3-one CAS Name: 5-methyl-2-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-1H-pyrazol-3-one IUPAC Name: 5-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-1H-pyrazol-3-one Traditional Name: 5-methyl-2-(4-morpholinosulfonyl-2-nitro-phenyl)-3-pyrazolin-3-one Formula: C14H16N4O6S MolecularWeight: 368.36504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N(N1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O6S/c1-10-8-14(19)17(15-10)12-3-2-11(9-13(12)18(20)21)25(22,23)16-4-6-24-7-5-16/h2-3,8-9,15H,4-7H2,1H3