5-(4-chlorophenyl)-4-nitro-1-(phenylmethyl)-2-(trifluoromethyl)pyrrole-3-carbonitrile

Systemtic Name: 5-(4-chlorophenyl)-4-nitro-1-(phenylmethyl)-2-(trifluoromethyl)pyrrole-3-carbonitrile Openeye Name: 1-benzyl-5-(4-chlorophenyl)-4-nitro-2-(trifluoromethyl)pyrrole-3-carbonitrile CAS Name: 5-(4-chlorophenyl)-4-nitro-1-(phenylmethyl)-2-(trifluoromethyl)-3-pyrrolecarbonitrile IUPAC Name: 1-benzyl-5-(4-chlorophenyl)-4-nitro-2-(trifluoromethyl)pyrrole-3-carbonitrile Traditional Name: 1-benzyl-5-(4-chlorophenyl)-4-nitro-2-(trifluoromethyl)pyrrole-3-carbonitrile Formula: C19H11ClF3N3O2 MolecularWeight: 405.75775

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C(=C2C(F)(F)F)C#N)[N+](=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=C2C(F)(F)F)C#N)[N+](=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H11ClF3N3O2/c20-14-8-6-13(7-9-14)16-17(26(27)28)15(10-24)18(19(21,22)23)25(16)11-12-4-2-1-3-5-12/h1-9H,11H2