(phenylmethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (phenylmethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: benzyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid benzyl ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O4/c21-18(24-13-14-6-2-1-3-7-14)15-8-9-16(17(12-15)20(22)23)19-10-4-5-11-19/h1-3,6-9,12H,4-5,10-11,13H2