2-[(3R)-3-methyl-2,6-bis(oxidanylidene)piperidin-3-yl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(3R)-3-methyl-2,6-bis(oxidanylidene)piperidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(3R)-3-methyl-2,6-dioxo-3-piperidyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(3R)-3-methyl-2,6-dioxo-3-piperidinyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(3R)-2,6-diketo-3-methyl-3-piperidyl]-4-nitro-isoindoline-1,3-quinone Formula: C14H11N3O6 MolecularWeight: 317.25364

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)NC1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@]1(CCC(=O)NC1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O6/c1-14(6-5-9(18)15-13(14)21)16-11(19)7-3-2-4-8(17(22)23)10(7)12(16)20/h2-4H,5-6H2,1H3,(H,15,18,21)/t14-/m1/s1