4-nitro-2-(4-pyrrolidin-1-ylphenyl)carbonyl-benzoic acid

Systemtic Name: 4-nitro-2-(4-pyrrolidin-1-ylphenyl)carbonyl-benzoic acid Openeye Name: 4-nitro-2-(4-pyrrolidin-1-ylbenzoyl)benzoic acid CAS Name: 4-nitro-2-[oxo-[4-(1-pyrrolidinyl)phenyl]methyl]benzoic acid IUPAC Name: 4-nitro-2-(4-pyrrolidin-1-ylbenzoyl)benzoic acid Traditional Name: 4-nitro-2-(4-pyrrolidinobenzoyl)benzoic acid Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5/c21-17(12-3-5-13(6-4-12)19-9-1-2-10-19)16-11-14(20(24)25)7-8-15(16)18(22)23/h3-8,11H,1-2,9-10H2,(H,22,23)