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

Systemtic Name: 5-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4H-pyrazol-3-one Openeye Name: 5-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4H-pyrazol-3-one CAS Name: 5-methyl-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-4H-pyrazol-3-one IUPAC Name: 5-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-4H-pyrazol-3-one Traditional Name: 5-methyl-2-(2-nitro-4-pyrrolidinosulfonyl-phenyl)-2-pyrazolin-3-one Formula: C14H16N4O5S MolecularWeight: 352.36564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O5S/c1-10-8-14(19)17(15-10)12-5-4-11(9-13(12)18(20)21)24(22,23)16-6-2-3-7-16/h4-5,9H,2-3,6-8H2,1H3