(4-nitrophenyl)methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (4-nitrophenyl)methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (4-nitrophenyl)methyl 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid (4-nitrobenzyl) ester Formula: C21H13ClN2O7 MolecularWeight: 440.79012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN2O7/c22-18-10-7-14(11-19(18)24(29)30)20(25)16-3-1-2-4-17(16)21(26)31-12-13-5-8-15(9-6-13)23(27)28/h1-11H,12H2