(2-oxidanylidenecyclohexyl) 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (2-oxidanylidenecyclohexyl) 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (2-oxocyclohexyl) 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid (2-ketocyclohexyl) ester Formula: C20H16ClNO6 MolecularWeight: 401.79714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)C(C1)OC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H16ClNO6/c21-15-10-9-12(11-16(15)22(26)27)19(24)13-5-1-2-6-14(13)20(25)28-18-8-4-3-7-17(18)23/h1-2,5-6,9-11,18H,3-4,7-8H2