[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C22H14ClIN2O6 MolecularWeight: 564.71383

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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)OCC(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C22H14ClIN2O6/c23-18-10-5-13(11-19(18)26(30)31)21(28)16-3-1-2-4-17(16)22(29)32-12-20(27)25-15-8-6-14(24)7-9-15/h1-11H,12H2,(H,25,27)