[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C19H19ClN2O6 MolecularWeight: 406.81696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN2O6/c1-12(2)10-21-18(23)11-27-19(24)13-3-6-15(7-4-13)28-17-8-5-14(20)9-16(17)22(25)26/h3-9,12H,10-11H2,1-2H3,(H,21,23)