ethanedioic acid; 1-(4-ethoxy-2,3-dimethyl-phenyl)sulfonyl-2-methyl-5-nitro-imidazole

Systemtic Name: ethanedioic acid; 1-(4-ethoxy-2,3-dimethyl-phenyl)sulfonyl-2-methyl-5-nitro-imidazole Openeye Name: 1-(4-ethoxy-2,3-dimethyl-phenyl)sulfonyl-2-methyl-5-nitro-imidazole; oxalic acid CAS Name: 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-2-methyl-5-nitroimidazole; oxalic acid IUPAC Name: 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-2-methyl-5-nitroimidazole; oxalic acid Traditional Name: 1-(4-ethoxy-2,3-dimethyl-phenyl)sulfonyl-2-methyl-5-nitro-imidazole; oxalic acid Formula: C16H19N3O9S MolecularWeight: 429.40176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1)S(=O)(=O)N2C(=NC=C2[N+](=O)[O-])C)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C(=C(C=C1)S(=O)(=O)N2C(=NC=C2[N+](=O)[O-])C)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H17N3O5S.C2H2O4/c1-5-22-12-6-7-13(10(3)9(12)2)23(20,21)16-11(4)15-8-14(16)17(18)19;3-1(4)2(5)6/h6-8H,5H2,1-4H3;(H,3,4)(H,5,6)