2-[chloranyl-(2,6-dimethyl-3-nitro-phenyl)amino]propanoic acid

Systemtic Name: 2-[chloranyl-(2,6-dimethyl-3-nitro-phenyl)amino]propanoic acid Openeye Name: 2-(N-chloro-2,6-dimethyl-3-nitro-anilino)propanoic acid CAS Name: 2-(N-chloro-2,6-dimethyl-3-nitroanilino)propanoic acid IUPAC Name: 2-(N-chloro-2,6-dimethyl-3-nitroanilino)propanoic acid Traditional Name: 2-(N-chloro-2,6-dimethyl-3-nitro-anilino)propionic acid Formula: C11H13ClN2O4 MolecularWeight: 272.68492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN2O4/c1-6-4-5-9(14(17)18)7(2)10(6)13(12)8(3)11(15)16/h4-5,8H,1-3H3,(H,15,16)