5-methoxy-2-nitro-4-(3-pyrrolidin-1-ylpropoxy)benzoic acid

Systemtic Name: 5-methoxy-2-nitro-4-(3-pyrrolidin-1-ylpropoxy)benzoic acid Openeye Name: 5-methoxy-2-nitro-4-(3-pyrrolidin-1-ylpropoxy)benzoic acid CAS Name: 5-methoxy-2-nitro-4-[3-(1-pyrrolidinyl)propoxy]benzoic acid IUPAC Name: 5-methoxy-2-nitro-4-(3-pyrrolidin-1-ylpropoxy)benzoic acid Traditional Name: 5-methoxy-2-nitro-4-(3-pyrrolidinopropoxy)benzoic acid Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCCN2CCCC2

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCCN2CCCC2

InChI

InChI=1S/C15H20N2O6/c1-22-13-9-11(15(18)19)12(17(20)21)10-14(13)23-8-4-7-16-5-2-3-6-16/h9-10H,2-8H2,1H3,(H,18,19)