ethanedioic acid; 2-methyl-4-nitro-N-[(2,4,5-trimethoxyphenyl)methyl]aniline

Systemtic Name: ethanedioic acid; 2-methyl-4-nitro-N-[(2,4,5-trimethoxyphenyl)methyl]aniline Openeye Name: 2-methyl-4-nitro-N-[(2,4,5-trimethoxyphenyl)methyl]aniline; oxalic acid CAS Name: 2-methyl-4-nitro-N-[(2,4,5-trimethoxyphenyl)methyl]aniline; oxalic acid IUPAC Name: 2-methyl-4-nitro-N-[(2,4,5-trimethoxyphenyl)methyl]aniline; oxalic acid Traditional Name: (2-methyl-4-nitro-phenyl)-(2,4,5-trimethoxybenzyl)amine; oxalic acid Formula: C19H22N2O9 MolecularWeight: 422.38598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC(=C(C=C2OC)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC(=C(C=C2OC)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20N2O5.C2H2O4/c1-11-7-13(19(20)21)5-6-14(11)18-10-12-8-16(23-3)17(24-4)9-15(12)22-2;3-1(4)2(5)6/h5-9,18H,10H2,1-4H3;(H,3,4)(H,5,6)