[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-benzoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-benzoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-4,5-dimethoxybenzoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate Traditional Name: 4,5-dimethoxy-2-(pivaloylamino)benzoic 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)NC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H25N3O8/c1-22(2,3)21(28)24-15-11-18(32-5)17(31-4)10-13(15)20(27)33-12-19(26)23-14-8-6-7-9-16(14)25(29)30/h6-11H,12H2,1-5H3,(H,23,26)(H,24,28)