4-(2-azanyl-3-methoxy-3-oxidanylidene-propyl)benzoic acid; ethanoic acid

Systemtic Name: 4-(2-azanyl-3-methoxy-3-oxidanylidene-propyl)benzoic acid; ethanoic acid Openeye Name: acetic acid; 4-(2-amino-3-methoxy-3-oxo-propyl)benzoic acid CAS Name: acetic acid; 4-(2-amino-3-methoxy-3-oxopropyl)benzoic acid IUPAC Name: acetic acid; 4-(2-amino-3-methoxy-3-oxopropyl)benzoic acid Traditional Name: acetic acid; 4-(2-amino-3-keto-3-methoxy-propyl)benzoic acid Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC(=O)C(CC1=CC=C(C=C1)C(=O)O)N

Isomeric SMILES

CC(=O)O.COC(=O)C(CC1=CC=C(C=C1)C(=O)O)N

InChI

InChI=1S/C11H13NO4.C2H4O2/c1-16-11(15)9(12)6-7-2-4-8(5-3-7)10(13)14;1-2(3)4/h2-5,9H,6,12H2,1H3,(H,13,14);1H3,(H,3,4)