3-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile

Systemtic Name: 3-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile Openeye Name: 3-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile CAS Name: 3-[1-(4-tert-butylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(3-nitrophenyl)-2-propenenitrile IUPAC Name: 3-[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile Traditional Name: 3-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-nitrophenyl)acrylonitrile Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2/c1-17-13-20(14-21(16-26)19-7-6-8-24(15-19)28(29)30)18(2)27(17)23-11-9-22(10-12-23)25(3,4)5/h6-15H,1-5H3