[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate

Systemtic Name: [2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate CAS Name: 4,5-dimethoxy-2-[(2-methyl-1-oxopropyl)amino]benzoic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Traditional Name: 2-(isobutyrylamino)-4,5-dimethoxy-benzoic acid [2-(2-chloro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C21H22ClN3O8 MolecularWeight: 479.86768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O8/c1-11(2)20(27)24-15-9-18(32-4)17(31-3)8-13(15)21(28)33-10-19(26)23-16-7-12(25(29)30)5-6-14(16)22/h5-9,11H,10H2,1-4H3,(H,23,26)(H,24,27)