[4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]methyl 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]methyl 3-azanyl-4-chloranyl-benzoate Openeye Name: [4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methyl 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl ester IUPAC Name: [4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [4-(difluoromethoxy)-5-methoxy-2-nitro-benzyl] ester Formula: C16H13ClF2N2O6 MolecularWeight: 402.734026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)C2=CC(=C(C=C2)Cl)N)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)C2=CC(=C(C=C2)Cl)N)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C16H13ClF2N2O6/c1-25-13-5-9(12(21(23)24)6-14(13)27-16(18)19)7-26-15(22)8-2-3-10(17)11(20)4-8/h2-6,16H,7,20H2,1H3