2-azanyl-3-[3-(carboxymethyloxy)-4-(nitromethyl)phenyl]propanoic acid hydrochloride

Systemtic Name: 2-azanyl-3-[3-(carboxymethyloxy)-4-(nitromethyl)phenyl]propanoic acid hydrochloride Openeye Name: 2-amino-3-[3-(carboxymethyloxy)-4-(nitromethyl)phenyl]propanoic acid hydrochloride CAS Name: 2-amino-3-[3-(carboxymethyloxy)-4-(nitromethyl)phenyl]propanoic acid hydrochloride IUPAC Name: 2-amino-3-[3-(carboxymethyloxy)-4-(nitromethyl)phenyl]propanoic acid hydrochloride Traditional Name: 2-amino-3-[3-(carboxymethyloxy)-4-(nitromethyl)phenyl]propionic acid hydrochloride Formula: C12H15ClN2O7 MolecularWeight: 334.7097

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)N)OCC(=O)O)C[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC(=C(C=C1CC(C(=O)O)N)OCC(=O)O)C[N+](=O)[O-].Cl

InChI

InChI=1S/C12H14N2O7.ClH/c13-9(12(17)18)3-7-1-2-8(5-14(19)20)10(4-7)21-6-11(15)16;/h1-2,4,9H,3,5-6,13H2,(H,15,16)(H,17,18);1H