phenyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: phenyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: phenyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid phenyl ester IUPAC Name: phenyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid phenyl ester Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H16N2O4/c20-17(23-14-6-2-1-3-7-14)15-12-13(19(21)22)8-9-16(15)18-10-4-5-11-18/h1-3,6-9,12H,4-5,10-11H2