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

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 2-[(2-chloro-4-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[(2-chloro-4-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-3-methyl-butyric acid [2-(3,4-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=CC(=C(C=C1)OC)OC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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