[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C24H19ClN2O8 MolecularWeight: 498.86926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H19ClN2O8/c1-14(23(28)26-12-15-2-8-21-22(10-15)33-13-32-21)34-24(29)16-3-6-18(7-4-16)35-20-9-5-17(25)11-19(20)27(30)31/h2-11,14H,12-13H2,1H3,(H,26,28)