2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(3-methyl-1-piperidinyl)-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-keto-2-(3-methylpiperidino)ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5/c1-10-3-2-6-17(8-10)14(20)9-18-15(21)12-5-4-11(19(23)24)7-13(12)16(18)22/h4-5,7,10H,2-3,6,8-9H2,1H3