methyl 3-bromanyl-5-(butylamino)-4-oxidanyl-benzoate

Systemtic Name: methyl 3-bromanyl-5-(butylamino)-4-oxidanyl-benzoate Openeye Name: methyl 3-bromo-5-(butylamino)-4-hydroxy-benzoate CAS Name: 3-bromo-5-(butylamino)-4-hydroxybenzoic acid methyl ester IUPAC Name: methyl 3-bromo-5-(butylamino)-4-hydroxybenzoate Traditional Name: 3-bromo-5-(butylamino)-4-hydroxy-benzoic acid methyl ester Formula: C12H16BrNO3 MolecularWeight: 302.16434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)OC)Br)O

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)OC)Br)O

InChI

InChI=1S/C12H16BrNO3/c1-3-4-5-14-10-7-8(12(16)17-2)6-9(13)11(10)15/h6-7,14-15H,3-5H2,1-2H3