4-chloranyl-3-nitro-2-propyl-benzoic acid

Systemtic Name: 4-chloranyl-3-nitro-2-propyl-benzoic acid Openeye Name: 4-chloro-3-nitro-2-propyl-benzoic acid CAS Name: 4-chloro-3-nitro-2-propylbenzoic acid IUPAC Name: 4-chloro-3-nitro-2-propylbenzoic acid Traditional Name: 4-chloro-3-nitro-2-propyl-benzoic acid Formula: C10H10ClNO4 MolecularWeight: 243.6437

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1[N+](=O)[O-])Cl)C(=O)O

InChI

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