(2-oxidanylidene-1,2-diphenyl-ethyl) 2-chloranyl-4-nitro-benzoate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 2-chloranyl-4-nitro-benzoate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid desyl ester Formula: C21H14ClNO5 MolecularWeight: 395.79256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H14ClNO5/c22-18-13-16(23(26)27)11-12-17(18)21(25)28-20(15-9-5-2-6-10-15)19(24)14-7-3-1-4-8-14/h1-13,20H