4-(2-bromanylethanoylamino)-2-[(2,3-dimethylphenyl)amino]benzoic acid

Systemtic Name: 4-(2-bromanylethanoylamino)-2-[(2,3-dimethylphenyl)amino]benzoic acid Openeye Name: 4-[(2-bromoacetyl)amino]-2-(2,3-dimethylanilino)benzoic acid CAS Name: 4-[(2-bromo-1-oxoethyl)amino]-2-(2,3-dimethylanilino)benzoic acid IUPAC Name: 4-[(2-bromoacetyl)amino]-2-(2,3-dimethylanilino)benzoic acid Traditional Name: 4-[(2-bromoacetyl)amino]-2-(2,3-dimethylanilino)benzoic acid Formula: C17H17BrN2O3 MolecularWeight: 377.23248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=C(C=CC(=C2)NC(=O)CBr)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=C(C=CC(=C2)NC(=O)CBr)C(=O)O)C

InChI

InChI=1S/C17H17BrN2O3/c1-10-4-3-5-14(11(10)2)20-15-8-12(19-16(21)9-18)6-7-13(15)17(22)23/h3-8,20H,9H2,1-2H3,(H,19,21)(H,22,23)