2-hydroxyethyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: 2-hydroxyethyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: 2-hydroxyethyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid 2-hydroxyethyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c16-7-8-20-13(17)10-3-4-11(12(9-10)15(18)19)14-5-1-2-6-14/h3-4,9,16H,1-2,5-8H2