ethanedioic acid; 2-[2-(5-methyl-2-nitro-phenoxy)ethyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: ethanedioic acid; 2-[2-(5-methyl-2-nitro-phenoxy)ethyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[2-(5-methyl-2-nitro-phenoxy)ethyl]-3,4-dihydro-1H-isoquinoline; oxalic acid CAS Name: 2-[2-(5-methyl-2-nitrophenoxy)ethyl]-3,4-dihydro-1H-isoquinoline; oxalic acid IUPAC Name: 2-[2-(5-methyl-2-nitrophenoxy)ethyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Traditional Name: 2-[2-(5-methyl-2-nitro-phenoxy)ethyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Formula: C20H22N2O7 MolecularWeight: 402.39788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCN2CCC3=CC=CC=C3C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCN2CCC3=CC=CC=C3C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20N2O3.C2H2O4/c1-14-6-7-17(20(21)22)18(12-14)23-11-10-19-9-8-15-4-2-3-5-16(15)13-19;3-1(4)2(5)6/h2-7,12H,8-11,13H2,1H3;(H,3,4)(H,5,6)