2-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylbenzoic acid

Systemtic Name: 2-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylbenzoic acid Openeye Name: 2-(3-nitro-4-pyrrolidin-1-yl-benzoyl)benzoic acid CAS Name: 2-[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-(3-nitro-4-pyrrolidin-1-ylbenzoyl)benzoic acid Traditional Name: 2-(3-nitro-4-pyrrolidino-benzoyl)benzoic acid Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5/c21-17(13-5-1-2-6-14(13)18(22)23)12-7-8-15(16(11-12)20(24)25)19-9-3-4-10-19/h1-2,5-8,11H,3-4,9-10H2,(H,22,23)