2-(4-fluorophenyl)-3-[1-(2-methoxy-5-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enenitrile

Systemtic Name: 2-(4-fluorophenyl)-3-[1-(2-methoxy-5-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enenitrile Openeye Name: 2-(4-fluorophenyl)-3-[1-(2-methoxy-5-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enenitrile CAS Name: 2-(4-fluorophenyl)-3-[1-(2-methoxy-5-nitrophenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenenitrile IUPAC Name: 2-(4-fluorophenyl)-3-[1-(2-methoxy-5-nitrophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enenitrile Traditional Name: 2-(4-fluorophenyl)-3-[1-(2-methoxy-5-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]acrylonitrile Formula: C22H18FN3O3 MolecularWeight: 391.395023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])OC)C)C=C(C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])OC)C)C=C(C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H18FN3O3/c1-14-10-17(11-18(13-24)16-4-6-19(23)7-5-16)15(2)25(14)21-12-20(26(27)28)8-9-22(21)29-3/h4-12H,1-3H3