4-chloranyl-4-(3-methyl-5-nitro-phenyl)butanoic acid

Systemtic Name: 4-chloranyl-4-(3-methyl-5-nitro-phenyl)butanoic acid Openeye Name: 4-chloro-4-(3-methyl-5-nitro-phenyl)butanoic acid CAS Name: 4-chloro-4-(3-methyl-5-nitrophenyl)butanoic acid IUPAC Name: 4-chloro-4-(3-methyl-5-nitrophenyl)butanoic acid Traditional Name: 4-chloro-4-(3-methyl-5-nitro-phenyl)butyric acid Formula: C11H12ClNO4 MolecularWeight: 257.67028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClNO4/c1-7-4-8(6-9(5-7)13(16)17)10(12)2-3-11(14)15/h4-6,10H,2-3H2,1H3,(H,14,15)