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

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-(3-nitrophenyl)-2-propenenitrile IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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