5-nitro-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[(1-benzyl-4-piperidyl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 5-nitro-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(1-benzyl-4-piperidyl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4/c25-20-18-7-6-17(24(27)28)12-19(18)21(26)23(20)14-16-8-10-22(11-9-16)13-15-4-2-1-3-5-15/h1-7,12,16H,8-11,13-14H2