3-nitro-4-(pyrrolidin-1-ylmethyl)benzoic acid

Systemtic Name: 3-nitro-4-(pyrrolidin-1-ylmethyl)benzoic acid Openeye Name: 3-nitro-4-(pyrrolidin-1-ylmethyl)benzoic acid CAS Name: 3-nitro-4-(1-pyrrolidinylmethyl)benzoic acid IUPAC Name: 3-nitro-4-(pyrrolidin-1-ylmethyl)benzoic acid Traditional Name: 3-nitro-4-(pyrrolidinomethyl)benzoic acid Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O4/c15-12(16)9-3-4-10(11(7-9)14(17)18)8-13-5-1-2-6-13/h3-4,7H,1-2,5-6,8H2,(H,15,16)