4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile

Systemtic Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile Openeye Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxo-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile CAS Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]-1,5-dimethyl-2-pyrrolecarbonitrile IUPAC Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]-1,5-dimethylpyrrole-2-carbonitrile Traditional Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-keto-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile Formula: C17H14N2O3 MolecularWeight: 294.30466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=CC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C/C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H14N2O3/c1-11-12(7-14(9-18)19(11)2)3-5-15(20)13-4-6-16-17(8-13)22-10-21-16/h3-8H,10H2,1-2H3/b5-3+