3-nitro-4-pyrrolidin-1-yl-benzoic acid hydrochloride

Systemtic Name: 3-nitro-4-pyrrolidin-1-yl-benzoic acid hydrochloride Openeye Name: 3-nitro-4-pyrrolidin-1-yl-benzoic acid hydrochloride CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid hydrochloride IUPAC Name: 3-nitro-4-pyrrolidin-1-ylbenzoic acid hydrochloride Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid hydrochloride Formula: C11H13ClN2O4 MolecularWeight: 272.68492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O4.ClH/c14-11(15)8-3-4-9(10(7-8)13(16)17)12-5-1-2-6-12;/h3-4,7H,1-2,5-6H2,(H,14,15);1H