2-[azanyl(1-hydroxyethyl)amino]benzoic acid; 2-oxidanylidenepropanal

Systemtic Name: 2-[azanyl(1-hydroxyethyl)amino]benzoic acid; 2-oxidanylidenepropanal Openeye Name: 2-[amino(1-hydroxyethyl)amino]benzoic acid; 2-oxopropanal CAS Name: 2-[amino(1-hydroxyethyl)amino]benzoic acid; 2-oxopropanal IUPAC Name: 2-[amino(1-hydroxyethyl)amino]benzoic acid; 2-oxopropanal Traditional Name: 2-[amino(1-hydroxyethyl)amino]benzoic acid; 2-ketopropionaldehyde Formula: C21H28N4O8 MolecularWeight: 464.46902

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C1=CC=CC=C1C(=O)O)N)O.CC(N(C1=CC=CC=C1C(=O)O)N)O.CC(=O)C=O

Isomeric SMILES

CC(N(C1=CC=CC=C1C(=O)O)N)O.CC(N(C1=CC=CC=C1C(=O)O)N)O.CC(=O)C=O

InChI

InChI=1S/2C9H12N2O3.C3H4O2/c2*1-6(12)11(10)8-5-3-2-4-7(8)9(13)14;1-3(5)2-4/h2*2-6,12H,10H2,1H3,(H,13,14);2H,1H3