3-nitro-4-phenoxy-5-pyrrolidin-1-yl-benzoic acid

Systemtic Name: 3-nitro-4-phenoxy-5-pyrrolidin-1-yl-benzoic acid Openeye Name: 3-nitro-4-phenoxy-5-pyrrolidin-1-yl-benzoic acid CAS Name: 3-nitro-4-phenoxy-5-(1-pyrrolidinyl)benzoic acid IUPAC Name: 3-nitro-4-phenoxy-5-pyrrolidin-1-ylbenzoic acid Traditional Name: 3-nitro-4-phenoxy-5-pyrrolidino-benzoic acid Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)[N+](=O)[O-])OC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)[N+](=O)[O-])OC3=CC=CC=C3

InChI

InChI=1S/C17H16N2O5/c20-17(21)12-10-14(18-8-4-5-9-18)16(15(11-12)19(22)23)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)