2-[3-(3,5-dimethylphenoxy)propyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[3-(3,5-dimethylphenoxy)propyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[3-(3,5-dimethylphenoxy)propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[3-(3,5-dimethylphenoxy)propyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[3-(3,5-dimethylphenoxy)propyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[3-(3,5-dimethylphenoxy)propyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N2O5/c1-12-9-13(2)11-14(10-12)26-8-4-7-20-18(22)15-5-3-6-16(21(24)25)17(15)19(20)23/h3,5-6,9-11H,4,7-8H2,1-2H3