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

Systemtic Name: 4-bromanyl-N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-3-methyl-aniline; ethanedioic acid Openeye Name: 4-bromo-N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-3-methyl-aniline; oxalic acid CAS Name: 4-bromo-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-3-methylaniline; oxalic acid IUPAC Name: 4-bromo-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-3-methylaniline; oxalic acid Traditional Name: (4-bromo-3-methyl-phenyl)-(4,5-dimethoxy-2-nitro-benzyl)amine; oxalic acid Formula: C18H19BrN2O8 MolecularWeight: 471.25606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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