N,N-diethyl-4-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-(5-keto-3-methyl-3-pyrazolin-1-yl)-3-nitro-benzenesulfonamide Formula: C14H18N4O5S MolecularWeight: 354.38152

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2C(=O)C=C(N2)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2C(=O)C=C(N2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O5S/c1-4-16(5-2)24(22,23)11-6-7-12(13(9-11)18(20)21)17-14(19)8-10(3)15-17/h6-9,15H,4-5H2,1-3H3