2-azanyl-3-(2,3-dimethyl-6-nitro-phenyl)propanoic acid hydrate hydrochloride

Systemtic Name: 2-azanyl-3-(2,3-dimethyl-6-nitro-phenyl)propanoic acid hydrate hydrochloride Openeye Name: 2-amino-3-(2,3-dimethyl-6-nitro-phenyl)propanoic acid hydrate hydrochloride CAS Name: 2-amino-3-(2,3-dimethyl-6-nitrophenyl)propanoic acid hydrate hydrochloride IUPAC Name: 2-amino-3-(2,3-dimethyl-6-nitrophenyl)propanoic acid hydrate hydrochloride Traditional Name: 2-amino-3-(2,3-dimethyl-6-nitro-phenyl)propionic acid hydrate hydrochloride Formula: C11H17ClN2O5 MolecularWeight: 292.71608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O4.ClH.H2O/c1-6-3-4-10(13(16)17)8(7(6)2)5-9(12)11(14)15;;/h3-4,9H,5,12H2,1-2H3,(H,14,15);1H;1H2