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

Systemtic Name: 2-[(3S)-2,6-bis(oxidanylidene)piperidin-3-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(3S)-2,6-dioxo-3-piperidyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(3S)-2,6-dioxo-3-piperidinyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(3S)-2,6-diketo-3-piperidyl]-5-nitro-isoindoline-1,3-quinone Formula: C13H9N3O6 MolecularWeight: 303.22706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)NC(=O)[C@H]1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O6/c17-10-4-3-9(11(18)14-10)15-12(19)7-2-1-6(16(21)22)5-8(7)13(15)20/h1-2,5,9H,3-4H2,(H,14,17,18)/t9-/m0/s1