2-(aminomethyl)phenol; 2-azanylethanoic acid; 3-bromanyl-5-methoxy-4-oxidanyl-benzaldehyde

Systemtic Name: 2-(aminomethyl)phenol; 2-azanylethanoic acid; 3-bromanyl-5-methoxy-4-oxidanyl-benzaldehyde Openeye Name: 2-aminoacetic acid; 2-(aminomethyl)phenol; 3-bromo-4-hydroxy-5-methoxy-benzaldehyde CAS Name: 2-aminoacetic acid; 2-(aminomethyl)phenol; 3-bromo-4-hydroxy-5-methoxybenzaldehyde IUPAC Name: 2-aminoacetic acid; 2-(aminomethyl)phenol; 3-bromo-4-hydroxy-5-methoxybenzaldehyde Traditional Name: 2-aminoacetic acid; 2-(aminomethyl)phenol; 3-bromo-4-hydroxy-5-methoxy-benzaldehyde Formula: C17H21BrN2O6 MolecularWeight: 429.26244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=O)Br)O.C1=CC=C(C(=C1)CN)O.C(C(=O)O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C=O)Br)O.C1=CC=C(C(=C1)CN)O.C(C(=O)O)N

InChI

InChI=1S/C8H7BrO3.C7H9NO.C2H5NO2/c1-12-7-3-5(4-10)2-6(9)8(7)11;8-5-6-3-1-2-4-7(6)9;3-1-2(4)5/h2-4,11H,1H3;1-4,9H,5,8H2;1,3H2,(H,4,5)