[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-(4-benzyloxyanilino)-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-oxo-2-(4-phenylmethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-(4-benzoxyanilino)-2-keto-ethyl] ester Formula: C22H17ClN2O6 MolecularWeight: 440.83318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H17ClN2O6/c23-20-11-8-17(25(28)29)12-19(20)22(27)31-14-21(26)24-16-6-9-18(10-7-16)30-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26)