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

Systemtic Name: ethyl 3-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[cyclopropyl-[4-(trifluoromethyl)benzyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H19F3N2O5 MolecularWeight: 436.38117

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N2O5/c1-2-31-20(28)15-9-14(10-18(11-15)26(29)30)19(27)25(17-7-8-17)12-13-3-5-16(6-4-13)21(22,23)24/h3-6,9-11,17H,2,7-8,12H2,1H3