3-chloranyl-4-(cyclododecylamino)-1-(2-nitrophenyl)pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-4-(cyclododecylamino)-1-(2-nitrophenyl)pyrrole-2,5-dione Openeye Name: 3-chloro-4-(cyclododecylamino)-1-(2-nitrophenyl)pyrrole-2,5-dione CAS Name: 3-chloro-4-(cyclododecylamino)-1-(2-nitrophenyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-4-(cyclododecylamino)-1-(2-nitrophenyl)pyrrole-2,5-dione Traditional Name: 3-chloro-4-(cyclododecylamino)-1-(2-nitrophenyl)-3-pyrroline-2,5-quinone Formula: C22H28ClN3O4 MolecularWeight: 433.92842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)NC2=C(C(=O)N(C2=O)C3=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCCCC(CCCCC1)NC2=C(C(=O)N(C2=O)C3=CC=CC=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C22H28ClN3O4/c23-19-20(24-16-12-8-6-4-2-1-3-5-7-9-13-16)22(28)25(21(19)27)17-14-10-11-15-18(17)26(29)30/h10-11,14-16,24H,1-9,12-13H2