4-nitro-2-[[(phenylmethyl)-propyl-amino]methyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[[(phenylmethyl)-propyl-amino]methyl]isoindole-1,3-dione Openeye Name: 2-[[benzyl(propyl)amino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 4-nitro-2-[[(phenylmethyl)-propylamino]methyl]isoindole-1,3-dione IUPAC Name: 2-[[benzyl(propyl)amino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[benzyl(propyl)amino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1=CC=CC=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4/c1-2-11-20(12-14-7-4-3-5-8-14)13-21-18(23)15-9-6-10-16(22(25)26)17(15)19(21)24/h3-10H,2,11-13H2,1H3