3-nitro-4-(2-pyrrolidin-1-ylethoxy)benzoic acid

Systemtic Name: 3-nitro-4-(2-pyrrolidin-1-ylethoxy)benzoic acid Openeye Name: 3-nitro-4-(2-pyrrolidin-1-ylethoxy)benzoic acid CAS Name: 3-nitro-4-[2-(1-pyrrolidinyl)ethoxy]benzoic acid IUPAC Name: 3-nitro-4-(2-pyrrolidin-1-ylethoxy)benzoic acid Traditional Name: 3-nitro-4-(2-pyrrolidinoethoxy)benzoic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CCOC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c16-13(17)10-3-4-12(11(9-10)15(18)19)20-8-7-14-5-1-2-6-14/h3-4,9H,1-2,5-8H2,(H,16,17)