2-[4-(3-methyl-4-nitro-phenoxy)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(3-methyl-4-nitro-phenoxy)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(3-methyl-4-nitro-phenoxy)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(3-methyl-4-nitrophenoxy)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(3-methyl-4-nitrophenoxy)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(3-methyl-4-nitro-phenoxy)butyl]isoindoline-1,3-quinone Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5/c1-13-12-14(8-9-17(13)21(24)25)26-11-5-4-10-20-18(22)15-6-2-3-7-16(15)19(20)23/h2-3,6-9,12H,4-5,10-11H2,1H3