2-[2,6-bis(chloranyl)-3-methoxy-4-nitro-phenyl]pentanoic acid

Systemtic Name: 2-[2,6-bis(chloranyl)-3-methoxy-4-nitro-phenyl]pentanoic acid Openeye Name: 2-(2,6-dichloro-3-methoxy-4-nitro-phenyl)pentanoic acid CAS Name: 2-(2,6-dichloro-3-methoxy-4-nitrophenyl)pentanoic acid IUPAC Name: 2-(2,6-dichloro-3-methoxy-4-nitrophenyl)pentanoic acid Traditional Name: 2-(2,6-dichloro-3-methoxy-4-nitro-phenyl)valeric acid Formula: C12H13Cl2NO5 MolecularWeight: 322.14132

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=C(C(=C1Cl)OC)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

CCCC(C1=C(C=C(C(=C1Cl)OC)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C12H13Cl2NO5/c1-3-4-6(12(16)17)9-7(13)5-8(15(18)19)11(20-2)10(9)14/h5-6H,3-4H2,1-2H3,(H,16,17)