3-(2-chloranyl-3-methyl-5-nitro-phenyl)propanoic acid

Systemtic Name: 3-(2-chloranyl-3-methyl-5-nitro-phenyl)propanoic acid Openeye Name: 3-(2-chloro-3-methyl-5-nitro-phenyl)propanoic acid CAS Name: 3-(2-chloro-3-methyl-5-nitrophenyl)propanoic acid IUPAC Name: 3-(2-chloro-3-methyl-5-nitrophenyl)propanoic acid Traditional Name: 3-(2-chloro-3-methyl-5-nitro-phenyl)propionic acid Formula: C10H10ClNO4 MolecularWeight: 243.6437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H10ClNO4/c1-6-4-8(12(15)16)5-7(10(6)11)2-3-9(13)14/h4-5H,2-3H2,1H3,(H,13,14)