methyl 3-[[3,4-bis(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[3,4-bis(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[3,4-bis(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3,4-bis(trifluoromethyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[3,4-bis(trifluoromethyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3,4-bis(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H10F6N2O5 MolecularWeight: 436.262119

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H10F6N2O5/c1-30-15(27)9-4-8(5-11(6-9)25(28)29)14(26)24-10-2-3-12(16(18,19)20)13(7-10)17(21,22)23/h2-7H,1H3,(H,24,26)