ethyl 3-methylsulfonyl-5-[(E)-(2-nitramido-4,5-dihydroimidazol-1-yl)methylideneamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-methylsulfonyl-5-[(E)-(2-nitramido-4,5-dihydroimidazol-1-yl)methylideneamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-methylsulfonyl-5-[(E)-(2-nitramido-4,5-dihydroimidazol-1-yl)methyleneamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-methylsulfonyl-5-[(E)-(2-nitramido-4,5-dihydroimidazol-1-yl)methylideneamino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methylsulfonyl-5-[(E)-(2-nitramido-4,5-dihydroimidazol-1-yl)methylideneamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 3-mesyl-5-[(E)-(2-nitramido-2-imidazolin-1-yl)methyleneamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C17H19N7O6S MolecularWeight: 449.44106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1S(=O)(=O)C)C2=CC=CC=C2)N=CN3CCN=C3N[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1S(=O)(=O)C)C2=CC=CC=C2)/N=C/N3CCN=C3N[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O6S/c1-3-30-16(25)13-14(19-11-22-10-9-18-17(22)21-24(26)27)23(12-7-5-4-6-8-12)20-15(13)31(2,28)29/h4-8,11H,3,9-10H2,1-2H3,(H,18,21)/b19-11+