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

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C20H20ClN3O8 MolecularWeight: 465.8411

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O8/c1-3-8-22-20(27)23-18(25)11-31-19(26)12-4-6-16(17(9-12)30-2)32-15-7-5-13(21)10-14(15)24(28)29/h4-7,9-10H,3,8,11H2,1-2H3,(H2,22,23,25,27)