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

Systemtic Name: methyl 3-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[cyclopropyl-[4-(trifluoromethyl)benzyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H17F3N2O5 MolecularWeight: 422.35459

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=CC=C(C=C2)C(F)(F)F)C3CC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=CC=C(C=C2)C(F)(F)F)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C20H17F3N2O5/c1-30-19(27)14-8-13(9-17(10-14)25(28)29)18(26)24(16-6-7-16)11-12-2-4-15(5-3-12)20(21,22)23/h2-5,8-10,16H,6-7,11H2,1H3