4-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-nitro-benzoic acid

Systemtic Name: 4-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-nitro-benzoic acid Openeye Name: 4-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-nitro-benzoic acid CAS Name: 4-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-nitrobenzoic acid IUPAC Name: 4-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-nitrobenzoic acid Traditional Name: 4-(2-methylolpyrrolidino)-2-nitro-benzoic acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC(=C(C=C2)C(=O)O)[N+](=O)[O-])CO

Isomeric SMILES

C1CC(N(C1)C2=CC(=C(C=C2)C(=O)O)[N+](=O)[O-])CO

InChI

InChI=1S/C12H14N2O5/c15-7-9-2-1-5-13(9)8-3-4-10(12(16)17)11(6-8)14(18)19/h3-4,6,9,15H,1-2,5,7H2,(H,16,17)