[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butyric acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C22H23ClN2O8 MolecularWeight: 478.87962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=C(C=CC(=C1)OC)OC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)C1=C(C=CC(=C1)OC)OC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN2O8/c1-12(2)20(24-21(27)13-5-7-16(23)17(9-13)25(29)30)22(28)33-11-18(26)15-10-14(31-3)6-8-19(15)32-4/h5-10,12,20H,11H2,1-4H3,(H,24,27)