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

Systemtic Name: N-[(3-bromanyl-4-methoxy-phenyl)methyl]-2-methyl-4-nitro-aniline; ethanedioic acid Openeye Name: N-[(3-bromo-4-methoxy-phenyl)methyl]-2-methyl-4-nitro-aniline; oxalic acid CAS Name: N-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-4-nitroaniline; oxalic acid IUPAC Name: N-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-4-nitroaniline; oxalic acid Traditional Name: (3-bromo-4-methoxy-benzyl)-(2-methyl-4-nitro-phenyl)amine; oxalic acid Formula: C17H17BrN2O7 MolecularWeight: 441.23008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN2O3.C2H2O4/c1-10-7-12(18(19)20)4-5-14(10)17-9-11-3-6-15(21-2)13(16)8-11;3-1(4)2(5)6/h3-8,17H,9H2,1-2H3;(H,3,4)(H,5,6)