2-[carboxymethyl-[(5-nitro-2-oxidanyl-phenyl)methyl]amino]ethanoic acid hydrochloride

Systemtic Name: 2-[carboxymethyl-[(5-nitro-2-oxidanyl-phenyl)methyl]amino]ethanoic acid hydrochloride Openeye Name: 2-[carboxymethyl-[(2-hydroxy-5-nitro-phenyl)methyl]amino]acetic acid hydrochloride CAS Name: 2-[carboxymethyl-[(2-hydroxy-5-nitrophenyl)methyl]amino]acetic acid hydrochloride IUPAC Name: 2-[carboxymethyl-[(2-hydroxy-5-nitrophenyl)methyl]amino]acetic acid hydrochloride Traditional Name: 2-[carboxymethyl-(2-hydroxy-5-nitro-benzyl)amino]acetic acid hydrochloride Formula: C11H13ClN2O7 MolecularWeight: 320.68312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O7.ClH/c14-9-2-1-8(13(19)20)3-7(9)4-12(5-10(15)16)6-11(17)18;/h1-3,14H,4-6H2,(H,15,16)(H,17,18);1H