4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoic acid

Systemtic Name: 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoic acid Openeye Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid CAS Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid IUPAC Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid Traditional Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid Formula: C12H17BrN2O2 MolecularWeight: 301.17958

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C(=CC(=C1)C(=O)O)Br)N

Isomeric SMILES

CCN(CC)CC1=C(C(=CC(=C1)C(=O)O)Br)N

InChI

InChI=1S/C12H17BrN2O2/c1-3-15(4-2)7-9-5-8(12(16)17)6-10(13)11(9)14/h5-6H,3-4,7,14H2,1-2H3,(H,16,17)