5-[[(2-bromanyl-4-methyl-phenyl)amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(2-bromanyl-4-methyl-phenyl)amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[(2-bromo-4-methyl-anilino)methyl]furan-2-carboxylic acid CAS Name: 5-[(2-bromo-4-methylanilino)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-bromo-4-methylanilino)methyl]furan-2-carboxylic acid Traditional Name: 5-[(2-bromo-4-methyl-anilino)methyl]-2-furoic acid Formula: C13H12BrNO3 MolecularWeight: 310.14328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCC2=CC=C(O2)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NCC2=CC=C(O2)C(=O)O)Br

InChI

InChI=1S/C13H12BrNO3/c1-8-2-4-11(10(14)6-8)15-7-9-3-5-12(18-9)13(16)17/h2-6,15H,7H2,1H3,(H,16,17)