(2R)-2-[(2-methyl-3,5-dinitro-phenyl)carbonylamino]pentanedioic acid

Systemtic Name: (2R)-2-[(2-methyl-3,5-dinitro-phenyl)carbonylamino]pentanedioic acid Openeye Name: (2R)-2-[(2-methyl-3,5-dinitro-benzoyl)amino]pentanedioic acid CAS Name: (2R)-2-[[(2-methyl-3,5-dinitrophenyl)-oxomethyl]amino]pentanedioic acid IUPAC Name: (2R)-2-[(2-methyl-3,5-dinitrobenzoyl)amino]pentanedioic acid Traditional Name: (2R)-2-[(2-methyl-3,5-dinitro-benzoyl)amino]glutaric acid Formula: C13H13N3O9 MolecularWeight: 355.25702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC(CCC(=O)O)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)N[C@H](CCC(=O)O)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O9/c1-6-8(4-7(15(22)23)5-10(6)16(24)25)12(19)14-9(13(20)21)2-3-11(17)18/h4-5,9H,2-3H2,1H3,(H,14,19)(H,17,18)(H,20,21)/t9-/m1/s1