ethyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: ethyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: ethyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid ethyl ester Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O4/c1-2-19-13(16)10-5-6-11(12(9-10)15(17)18)14-7-3-4-8-14/h5-6,9H,2-4,7-8H2,1H3