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

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-(4-nitrophenyl)-2-propenenitrile IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-nitrophenyl)acrylonitrile Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C(C#N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C(C#N)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4/c1-14-9-17(10-18(12-23)16-3-5-19(6-4-16)25(26)27)15(2)24(14)20-7-8-21-22(11-20)29-13-28-21/h3-11H,13H2,1-2H3