4-ethyl-2-[5-[(3-methoxyphenyl)methylamino]pentyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 4-ethyl-2-[5-[(3-methoxyphenyl)methylamino]pentyl]-5-nitro-isoindole-1,3-dione Openeye Name: 4-ethyl-2-[5-[(3-methoxyphenyl)methylamino]pentyl]-5-nitro-isoindoline-1,3-dione CAS Name: 4-ethyl-2-[5-[(3-methoxyphenyl)methylamino]pentyl]-5-nitroisoindole-1,3-dione IUPAC Name: 4-ethyl-2-[5-[(3-methoxyphenyl)methylamino]pentyl]-5-nitroisoindole-1,3-dione Traditional Name: 4-ethyl-2-[5-(m-anisylamino)pentyl]-5-nitro-isoindoline-1,3-quinone Formula: C23H27N3O5 MolecularWeight: 425.47758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1C(=O)N(C2=O)CCCCCNCC3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=CC2=C1C(=O)N(C2=O)CCCCCNCC3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-3-18-20(26(29)30)11-10-19-21(18)23(28)25(22(19)27)13-6-4-5-12-24-15-16-8-7-9-17(14-16)31-2/h7-11,14,24H,3-6,12-13,15H2,1-2H3