dimethyl 3-benzamido-5-methyl-1-[2,2,2-tris(fluoranyl)ethanoylamino]pyrrole-2,4-dicarboxylate

Systemtic Name: dimethyl 3-benzamido-5-methyl-1-[2,2,2-tris(fluoranyl)ethanoylamino]pyrrole-2,4-dicarboxylate Openeye Name: dimethyl 3-benzamido-5-methyl-1-[(2,2,2-trifluoroacetyl)amino]pyrrole-2,4-dicarboxylate CAS Name: 3-benzamido-5-methyl-1-[(2,2,2-trifluoro-1-oxoethyl)amino]pyrrole-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-benzamido-5-methyl-1-[(2,2,2-trifluoroacetyl)amino]pyrrole-2,4-dicarboxylate Traditional Name: 3-benzamido-5-methyl-1-[(2,2,2-trifluoroacetyl)amino]pyrrole-2,4-dicarboxylic acid dimethyl ester Formula: C18H16F3N3O6 MolecularWeight: 427.33135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1NC(=O)C(F)(F)F)C(=O)OC)NC(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1NC(=O)C(F)(F)F)C(=O)OC)NC(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H16F3N3O6/c1-9-11(15(26)29-2)12(22-14(25)10-7-5-4-6-8-10)13(16(27)30-3)24(9)23-17(28)18(19,20)21/h4-8H,1-3H3,(H,22,25)(H,23,28)