2-[4-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(2-chloro-5-nitrophenyl)methyl-methylamino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(2-chloro-5-nitrophenyl)methyl-methylamino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(2-chloro-5-nitro-benzyl)-methyl-amino]butyl]isoindoline-1,3-quinone Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCN1C(=O)C2=CC=CC=C2C1=O)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN(CCCCN1C(=O)C2=CC=CC=C2C1=O)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H20ClN3O4/c1-22(13-14-12-15(24(27)28)8-9-18(14)21)10-4-5-11-23-19(25)16-6-2-3-7-17(16)20(23)26/h2-3,6-9,12H,4-5,10-11,13H2,1H3