2-(phenylcarbonyloxy)ethyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: 2-(phenylcarbonyloxy)ethyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: 2-benzoyloxyethyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid 2-benzoyloxyethyl ester IUPAC Name: 2-benzoyloxyethyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid 2-benzoyloxyethyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6/c23-19(15-6-2-1-3-7-15)27-12-13-28-20(24)16-8-9-17(18(14-16)22(25)26)21-10-4-5-11-21/h1-3,6-9,14H,4-5,10-13H2