(1-oxidanylidene-1-phenyl-propan-2-yl) 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5/c1-14(19(23)15-7-3-2-4-8-15)27-20(24)16-9-10-17(18(13-16)22(25)26)21-11-5-6-12-21/h2-4,7-10,13-14H,5-6,11-12H2,1H3