[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-keto-2-[4-(pivaloylamino)phenyl]ethyl] ester Formula: C20H19ClN2O6 MolecularWeight: 418.82766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN2O6/c1-20(2,3)19(26)22-14-7-4-12(5-8-14)17(24)11-29-18(25)13-6-9-15(21)16(10-13)23(27)28/h4-10H,11H2,1-3H3,(H,22,26)