5-methoxy-2-nitro-4-(3-phenylmethoxypropoxy)benzoic acid

Systemtic Name: 5-methoxy-2-nitro-4-(3-phenylmethoxypropoxy)benzoic acid Openeye Name: 4-(3-benzyloxypropoxy)-5-methoxy-2-nitro-benzoic acid CAS Name: 5-methoxy-2-nitro-4-(3-phenylmethoxypropoxy)benzoic acid IUPAC Name: 5-methoxy-2-nitro-4-(3-phenylmethoxypropoxy)benzoic acid Traditional Name: 4-(3-benzoxypropoxy)-5-methoxy-2-nitro-benzoic acid Formula: C18H19NO7 MolecularWeight: 361.34596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCCOCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCCOCC2=CC=CC=C2

InChI

InChI=1S/C18H19NO7/c1-24-16-10-14(18(20)21)15(19(22)23)11-17(16)26-9-5-8-25-12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,20,21)