2-[[ethyl-(phenylmethyl)amino]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[ethyl-(phenylmethyl)amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[benzyl(ethyl)amino]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[ethyl-(phenylmethyl)amino]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[benzyl(ethyl)amino]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[benzyl(ethyl)amino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4/c1-2-19(11-13-6-4-3-5-7-13)12-20-17(22)15-9-8-14(21(24)25)10-16(15)18(20)23/h3-10H,2,11-12H2,1H3