(2-oxidanylidene-1,2-diphenyl-ethyl) 4-bromanyl-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 4-bromanyl-3-nitro-benzoate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid desyl ester Formula: C21H14BrNO5 MolecularWeight: 440.24356

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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=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrNO5/c22-17-12-11-16(13-18(17)23(26)27)21(25)28-20(15-9-5-2-6-10-15)19(24)14-7-3-1-4-8-14/h1-13,20H