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

Systemtic Name: 2-[[methyl-(phenylmethyl)amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[benzyl(methyl)amino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[methyl-(phenylmethyl)amino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[benzyl(methyl)amino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[benzyl(methyl)amino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4/c1-18(10-12-6-3-2-4-7-12)11-19-16(21)13-8-5-9-14(20(23)24)15(13)17(19)22/h2-9H,10-11H2,1H3