methyl (1R,2R)-1-(4-methyl-3-nitro-phenyl)-2-(oxidanylcarbamoyl)cyclopropane-1-carboxylate

Systemtic Name: methyl (1R,2R)-1-(4-methyl-3-nitro-phenyl)-2-(oxidanylcarbamoyl)cyclopropane-1-carboxylate Openeye Name: methyl (1R,2R)-2-(hydroxycarbamoyl)-1-(4-methyl-3-nitro-phenyl)cyclopropanecarboxylate CAS Name: (1R,2R)-2-[(hydroxyamino)-oxomethyl]-1-(4-methyl-3-nitrophenyl)-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R)-2-(hydroxycarbamoyl)-1-(4-methyl-3-nitrophenyl)cyclopropane-1-carboxylate Traditional Name: (1R,2R)-2-(hydroxycarbamoyl)-1-(4-methyl-3-nitro-phenyl)cyclopropanecarboxylic acid methyl ester Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2(CC2C(=O)NO)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[C@]2(C[C@H]2C(=O)NO)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6/c1-7-3-4-8(5-10(7)15(19)20)13(12(17)21-2)6-9(13)11(16)14-18/h3-5,9,18H,6H2,1-2H3,(H,14,16)/t9-,13-/m0/s1