(3S,6R)-3-[(2-methoxy-3,5-dinitro-phenyl)methyl]-6-methyl-piperazine-2,5-dione

Systemtic Name: (3S,6R)-3-[(2-methoxy-3,5-dinitro-phenyl)methyl]-6-methyl-piperazine-2,5-dione Openeye Name: (3S,6R)-3-[(2-methoxy-3,5-dinitro-phenyl)methyl]-6-methyl-piperazine-2,5-dione CAS Name: (3S,6R)-3-[(2-methoxy-3,5-dinitrophenyl)methyl]-6-methylpiperazine-2,5-dione IUPAC Name: (3S,6R)-3-[(2-methoxy-3,5-dinitrophenyl)methyl]-6-methylpiperazine-2,5-dione Traditional Name: (3S,6R)-3-(2-methoxy-3,5-dinitro-benzyl)-6-methyl-piperazine-2,5-quinone Formula: C13H14N4O7 MolecularWeight: 338.27286

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)N1)CC2=CC(=CC(=C2OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1C(=O)N[C@H](C(=O)N1)CC2=CC(=CC(=C2OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O7/c1-6-12(18)15-9(13(19)14-6)4-7-3-8(16(20)21)5-10(17(22)23)11(7)24-2/h3,5-6,9H,4H2,1-2H3,(H,14,19)(H,15,18)/t6-,9+/m1/s1