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

Systemtic Name: (4-ethanoylphenyl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (4-acetylphenyl) 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (4-acetylphenyl) ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5/c1-13(22)14-4-7-16(8-5-14)26-19(23)15-6-9-17(18(12-15)21(24)25)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3