4-bromanyl-2-methyl-N-[(3-nitrophenyl)methyl]aniline; ethanedioic acid

Systemtic Name: 4-bromanyl-2-methyl-N-[(3-nitrophenyl)methyl]aniline; ethanedioic acid Openeye Name: 4-bromo-2-methyl-N-[(3-nitrophenyl)methyl]aniline; oxalic acid CAS Name: 4-bromo-2-methyl-N-[(3-nitrophenyl)methyl]aniline; oxalic acid IUPAC Name: 4-bromo-2-methyl-N-[(3-nitrophenyl)methyl]aniline; oxalic acid Traditional Name: (4-bromo-2-methyl-phenyl)-(3-nitrobenzyl)amine; oxalic acid Formula: C16H15BrN2O6 MolecularWeight: 411.2041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O2.C2H2O4/c1-10-7-12(15)5-6-14(10)16-9-11-3-2-4-13(8-11)17(18)19;3-1(4)2(5)6/h2-8,16H,9H2,1H3;(H,3,4)(H,5,6)