2-[3-nitro-4-[(4-pentoxyphenyl)amino]phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[3-nitro-4-[(4-pentoxyphenyl)amino]phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-nitro-4-(4-pentoxyanilino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-nitro-4-(4-pentoxyanilino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-nitro-4-(4-pentoxyanilino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-(4-amoxyanilino)-3-nitro-phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC2=C(C=C(C=C2)N3C(=O)C4CC=CCC4C3=O)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC2=C(C=C(C=C2)N3C(=O)C4CC=CCC4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O5/c1-2-3-6-15-33-19-12-9-17(10-13-19)26-22-14-11-18(16-23(22)28(31)32)27-24(29)20-7-4-5-8-21(20)25(27)30/h4-5,9-14,16,20-21,26H,2-3,6-8,15H2,1H3