2-(4-chloranyl-3-nitro-butyl)benzoic acid

Systemtic Name: 2-(4-chloranyl-3-nitro-butyl)benzoic acid Openeye Name: 2-(4-chloro-3-nitro-butyl)benzoic acid CAS Name: 2-(4-chloro-3-nitrobutyl)benzoic acid IUPAC Name: 2-(4-chloro-3-nitrobutyl)benzoic acid Traditional Name: 2-(4-chloro-3-nitro-butyl)benzoic acid Formula: C11H12ClNO4 MolecularWeight: 257.67028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClNO4/c12-7-9(13(16)17)6-5-8-3-1-2-4-10(8)11(14)15/h1-4,9H,5-7H2,(H,14,15)