4-bromanyl-N-(furan-2-ylmethyl)-3-methyl-aniline; ethanedioic acid

Systemtic Name: 4-bromanyl-N-(furan-2-ylmethyl)-3-methyl-aniline; ethanedioic acid Openeye Name: 4-bromo-N-(2-furylmethyl)-3-methyl-aniline; oxalic acid CAS Name: 4-bromo-N-(2-furanylmethyl)-3-methylaniline; oxalic acid IUPAC Name: 4-bromo-N-(furan-2-ylmethyl)-3-methylaniline; oxalic acid Traditional Name: (4-bromo-3-methyl-phenyl)-(2-furfuryl)amine; oxalic acid Formula: C14H14BrNO5 MolecularWeight: 356.16866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCC2=CC=CO2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NCC2=CC=CO2)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H12BrNO.C2H2O4/c1-9-7-10(4-5-12(9)13)14-8-11-3-2-6-15-11;3-1(4)2(5)6/h2-7,14H,8H2,1H3;(H,3,4)(H,5,6)