2-[(4-methylpiperidin-1-yl)methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(4-methylpiperidin-1-yl)methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(4-methyl-1-piperidyl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(4-methyl-1-piperidinyl)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(4-methylpiperidin-1-yl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(4-methylpiperidino)methyl]-4-nitro-isoindoline-1,3-quinone Formula: C15H17N3O4 MolecularWeight: 303.31318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4/c1-10-5-7-16(8-6-10)9-17-14(19)11-3-2-4-12(18(21)22)13(11)15(17)20/h2-4,10H,5-9H2,1H3