2-[(3S)-3-methyl-2,6-bis(oxidanylidene)piperidin-3-yl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(3S)-3-methyl-2,6-bis(oxidanylidene)piperidin-3-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(3S)-3-methyl-2,6-dioxo-3-piperidyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(3S)-3-methyl-2,6-dioxo-3-piperidinyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(3S)-2,6-diketo-3-methyl-3-piperidyl]-5-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O6/c1-14(5-4-10(18)15-13(14)21)16-11(19)8-3-2-7(17(22)23)6-9(8)12(16)20/h2-3,6H,4-5H2,1H3,(H,15,18,21)/t14-/m0/s1