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

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

CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C25H25N3O2/c1-4-5-7-20-10-12-24(13-11-20)27-18(2)14-22(19(27)3)15-23(17-26)21-8-6-9-25(16-21)28(29)30/h6,8-16H,4-5,7H2,1-3H3