methyl 2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3,4,9b-tetrahydrochromeno[4,3-c]pyrazole-3a-carboxylate

Systemtic Name: methyl 2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3,4,9b-tetrahydrochromeno[4,3-c]pyrazole-3a-carboxylate Openeye Name: methyl 2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3,4,9b-tetrahydrochromeno[4,3-c]pyrazole-3a-carboxylate CAS Name: 2-[oxo-[4-(trifluoromethyl)anilino]methyl]-1,3,4,9b-tetrahydro[1]benzopyrano[4,3-c]pyrazole-3a-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3,4,9b-tetrahydrochromeno[4,3-c]pyrazole-3a-carboxylate Traditional Name: 2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3,4,9b-tetrahydrochromeno[4,3-c]pyrazole-3a-carboxylic acid methyl ester Formula: C20H18F3N3O4 MolecularWeight: 421.36983

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CN(NC1C3=CC=CC=C3OC2)C(=O)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

COC(=O)C12CN(NC1C3=CC=CC=C3OC2)C(=O)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O4/c1-29-17(27)19-10-26(25-16(19)14-4-2-3-5-15(14)30-11-19)18(28)24-13-8-6-12(7-9-13)20(21,22)23/h2-9,16,25H,10-11H2,1H3,(H,24,28)