(4-acetamidophenyl) 2-chloranyl-3,5-dinitro-benzoate

Systemtic Name: (4-acetamidophenyl) 2-chloranyl-3,5-dinitro-benzoate Openeye Name: (4-acetamidophenyl) 2-chloro-3,5-dinitro-benzoate CAS Name: 2-chloro-3,5-dinitrobenzoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 2-chloro-3,5-dinitrobenzoate Traditional Name: 2-chloro-3,5-dinitro-benzoic acid (4-acetamidophenyl) ester Formula: C15H10ClN3O7 MolecularWeight: 379.7088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC(=CC(=C2Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC(=CC(=C2Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10ClN3O7/c1-8(20)17-9-2-4-11(5-3-9)26-15(21)12-6-10(18(22)23)7-13(14(12)16)19(24)25/h2-7H,1H3,(H,17,20)