(3S,5R)-1-(2,4-dinitrophenyl)-5-oxidanyl-1,2-diazinane-3-carboxylic acid

Systemtic Name: (3S,5R)-1-(2,4-dinitrophenyl)-5-oxidanyl-1,2-diazinane-3-carboxylic acid Openeye Name: (3S,5R)-1-(2,4-dinitrophenyl)-5-hydroxy-hexahydropyridazine-3-carboxylic acid CAS Name: (3S,5R)-1-(2,4-dinitrophenyl)-5-hydroxy-3-diazinanecarboxylic acid IUPAC Name: (3S,5R)-1-(2,4-dinitrophenyl)-5-hydroxydiazinane-3-carboxylic acid Traditional Name: (3S,5R)-1-(2,4-dinitrophenyl)-5-hydroxy-hexahydropyridazine-3-carboxylic acid Formula: C11H12N4O7 MolecularWeight: 312.23558

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(NC1C(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1[C@H](CN(N[C@@H]1C(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C11H12N4O7/c16-7-4-8(11(17)18)12-13(5-7)9-2-1-6(14(19)20)3-10(9)15(21)22/h1-3,7-8,12,16H,4-5H2,(H,17,18)/t7-,8+/m1/s1