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

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (2-benzamido-2-oxo-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (2-benzamido-2-keto-ethyl) ester Formula: C20H19N3O6 MolecularWeight: 397.38136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O6/c24-18(21-19(25)14-6-2-1-3-7-14)13-29-20(26)15-8-9-16(17(12-15)23(27)28)22-10-4-5-11-22/h1-3,6-9,12H,4-5,10-11,13H2,(H,21,24,25)