4-[4-[methyl-(phenylmethyl)amino]butyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 4-[4-[methyl-(phenylmethyl)amino]butyl]-5-nitro-isoindole-1,3-dione Openeye Name: 4-[4-[benzyl(methyl)amino]butyl]-5-nitro-isoindoline-1,3-dione CAS Name: 4-[4-[methyl-(phenylmethyl)amino]butyl]-5-nitroisoindole-1,3-dione IUPAC Name: 4-[4-[benzyl(methyl)amino]butyl]-5-nitroisoindole-1,3-dione Traditional Name: 4-[4-[benzyl(methyl)amino]butyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC1=C(C=CC2=C1C(=O)NC2=O)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CN(CCCCC1=C(C=CC2=C1C(=O)NC2=O)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4/c1-22(13-14-7-3-2-4-8-14)12-6-5-9-15-17(23(26)27)11-10-16-18(15)20(25)21-19(16)24/h2-4,7-8,10-11H,5-6,9,12-13H2,1H3,(H,21,24,25)