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

Systemtic Name: 2-[(3S)-3-methyl-2-oxidanylidene-piperidin-3-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(3S)-3-methyl-2-oxo-3-piperidyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(3S)-3-methyl-2-oxo-3-piperidinyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(3S)-3-methyl-2-oxopiperidin-3-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(3S)-2-keto-3-methyl-3-piperidyl]-5-nitro-isoindoline-1,3-quinone Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCNC1=O)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@]1(CCCNC1=O)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5/c1-14(5-2-6-15-13(14)20)16-11(18)9-4-3-8(17(21)22)7-10(9)12(16)19/h3-4,7H,2,5-6H2,1H3,(H,15,20)/t14-/m0/s1