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

Systemtic Name: 3-[2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile Openeye Name: 3-[1-(4-benzyloxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile CAS Name: 3-[2,5-dimethyl-1-(4-phenylmethoxyphenyl)-3-pyrrolyl]-2-(3-nitrophenyl)-2-propenenitrile IUPAC Name: 3-[2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile Traditional Name: 3-[1-(4-benzoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-nitrophenyl)acrylonitrile Formula: C28H23N3O3 MolecularWeight: 449.50052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)C)C=C(C#N)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)C)C=C(C#N)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H23N3O3/c1-20-15-24(16-25(18-29)23-9-6-10-27(17-23)31(32)33)21(2)30(20)26-11-13-28(14-12-26)34-19-22-7-4-3-5-8-22/h3-17H,19H2,1-2H3