4-(dimethylcarbamoyl)-1-(3-nitro-2-oxidanyl-phenyl)carbonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-(dimethylcarbamoyl)-1-(3-nitro-2-oxidanyl-phenyl)carbonyl-piperazine-2-carboxylic acid Openeye Name: 4-(dimethylcarbamoyl)-1-(2-hydroxy-3-nitro-benzoyl)piperazine-2-carboxylic acid CAS Name: 4-[dimethylamino(oxo)methyl]-1-[(2-hydroxy-3-nitrophenyl)-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 4-(dimethylcarbamoyl)-1-(2-hydroxy-3-nitrobenzoyl)piperazine-2-carboxylic acid Traditional Name: 4-(dimethylcarbamoyl)-1-(2-hydroxy-3-nitro-benzoyl)piperazine-2-carboxylic acid Formula: C15H18N4O7 MolecularWeight: 366.32602

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1CCN(C(C1)C(=O)O)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

CN(C)C(=O)N1CCN(C(C1)C(=O)O)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C15H18N4O7/c1-16(2)15(24)17-6-7-18(11(8-17)14(22)23)13(21)9-4-3-5-10(12(9)20)19(25)26/h3-5,11,20H,6-8H2,1-2H3,(H,22,23)