[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C18H16ClN3O8 MolecularWeight: 437.78794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O8/c1-9(16(23)21-18(20)25)29-17(24)10-3-5-14(15(7-10)28-2)30-13-6-4-11(19)8-12(13)22(26)27/h3-9H,1-2H3,(H3,20,21,23,25)