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2-(2-ethanoyl-6-methyl-3-nitro-phenyl)propanoic acid

2-(2-ethanoyl-6-methyl-3-nitro-phenyl)propanoic acid

Systemtic Name:2-(2-ethanoyl-6-methyl-3-nitro-phenyl)propanoic acid
Openeye Name:2-(2-acetyl-6-methyl-3-nitro-phenyl)propanoic acid
CAS Name:2-(2-acetyl-6-methyl-3-nitrophenyl)propanoic acid
IUPAC Name:2-(2-acetyl-6-methyl-3-nitrophenyl)propanoic acid
Traditional Name:2-(2-acetyl-6-methyl-3-nitro-phenyl)propionic acid
Formula: C12H13NO5
MolecularWeight: 251.23532
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H13NO5/c1-6-4-5-9(13(17)18)11(8(3)14)10(6)7(2)12(15)16/h4-5,7H,1-3H3,(H,15,16)


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