4-azanyl-3-bromanyl-5-[(tert-butylamino)methyl]benzoic acid

Systemtic Name: 4-azanyl-3-bromanyl-5-[(tert-butylamino)methyl]benzoic acid Openeye Name: 4-amino-3-bromo-5-[(tert-butylamino)methyl]benzoic acid CAS Name: 4-amino-3-bromo-5-[(tert-butylamino)methyl]benzoic acid IUPAC Name: 4-amino-3-bromo-5-[(tert-butylamino)methyl]benzoic acid Traditional Name: 4-amino-3-bromo-5-[(tert-butylamino)methyl]benzoic acid Formula: C12H17BrN2O2 MolecularWeight: 301.17958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC1=C(C(=CC(=C1)C(=O)O)Br)N

Isomeric SMILES

CC(C)(C)NCC1=C(C(=CC(=C1)C(=O)O)Br)N

InChI

InChI=1S/C12H17BrN2O2/c1-12(2,3)15-6-8-4-7(11(16)17)5-9(13)10(8)14/h4-5,15H,6,14H2,1-3H3,(H,16,17)