N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-4-nitro-aniline; ethanedioic acid

Systemtic Name: N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-4-nitro-aniline; ethanedioic acid Openeye Name: N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-4-nitro-aniline; oxalic acid CAS Name: N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-4-nitroaniline; oxalic acid IUPAC Name: N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-4-nitroaniline; oxalic acid Traditional Name: (3,5-dimethoxybenzyl)-(2-methyl-4-nitro-phenyl)amine; oxalic acid Formula: C18H20N2O8 MolecularWeight: 392.36

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC(=CC(=C2)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC(=CC(=C2)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18N2O4.C2H2O4/c1-11-6-13(18(19)20)4-5-16(11)17-10-12-7-14(21-2)9-15(8-12)22-3;3-1(4)2(5)6/h4-9,17H,10H2,1-3H3;(H,3,4)(H,5,6)