[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C22H25N3O8 MolecularWeight: 459.4492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C22H25N3O8/c1-13(2)20(24-21(27)14-9-15(31-3)11-16(10-14)32-4)22(28)33-12-19(26)23-17-7-5-6-8-18(17)25(29)30/h5-11,13,20H,12H2,1-4H3,(H,23,26)(H,24,27)