[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C20H21ClN2O6 MolecularWeight: 420.84354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O6/c1-13(2)9-10-22-19(24)12-28-20(25)14-3-6-16(7-4-14)29-18-8-5-15(21)11-17(18)23(26)27/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,24)