2-azanyl-3-[3-(carboxymethyl)-4-nitro-phenyl]-2-methyl-propanoic acid hydrochloride

Systemtic Name: 2-azanyl-3-[3-(carboxymethyl)-4-nitro-phenyl]-2-methyl-propanoic acid hydrochloride Openeye Name: 2-amino-3-[3-(carboxymethyl)-4-nitro-phenyl]-2-methyl-propanoic acid hydrochloride CAS Name: 2-amino-3-[3-(carboxymethyl)-4-nitrophenyl]-2-methylpropanoic acid hydrochloride IUPAC Name: 2-amino-3-[3-(carboxymethyl)-4-nitrophenyl]-2-methylpropanoic acid hydrochloride Traditional Name: 2-amino-3-[3-(carboxymethyl)-4-nitro-phenyl]-2-methyl-propionic acid hydrochloride Formula: C12H15ClN2O6 MolecularWeight: 318.7103

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)[N+](=O)[O-])CC(=O)O)(C(=O)O)N.Cl

Isomeric SMILES

CC(CC1=CC(=C(C=C1)[N+](=O)[O-])CC(=O)O)(C(=O)O)N.Cl

InChI

InChI=1S/C12H14N2O6.ClH/c1-12(13,11(17)18)6-7-2-3-9(14(19)20)8(4-7)5-10(15)16;/h2-4H,5-6,13H2,1H3,(H,15,16)(H,17,18);1H