3-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile

Systemtic Name: 3-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile Openeye Name: 3-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(3-nitrophenyl)prop-2-enenitrile CAS Name: 3-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-(3-nitrophenyl)-2-propenenitrile IUPAC Name: 3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(3-nitrophenyl)prop-2-enenitrile Traditional Name: 3-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(3-nitrophenyl)acrylonitrile Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C=C(C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C=C(C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O2/c1-16-11-20(17(2)24(16)15-18-7-4-3-5-8-18)12-21(14-23)19-9-6-10-22(13-19)25(26)27/h3-13H,15H2,1-2H3