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

Systemtic Name: N-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-2-methyl-4-nitro-aniline; ethanedioic acid Openeye Name: N-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-2-methyl-4-nitro-aniline; oxalic acid CAS Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methyl-4-nitroaniline; oxalic acid IUPAC Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methyl-4-nitroaniline; oxalic acid Traditional Name: (2-bromo-4,5-dimethoxy-benzyl)-(2-methyl-4-nitro-phenyl)amine; oxalic acid Formula: C18H19BrN2O8 MolecularWeight: 471.25606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC(=C(C=C2Br)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC(=C(C=C2Br)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17BrN2O4.C2H2O4/c1-10-6-12(19(20)21)4-5-14(10)18-9-11-7-15(22-2)16(23-3)8-13(11)17;3-1(4)2(5)6/h4-8,18H,9H2,1-3H3;(H,3,4)(H,5,6)