4-azanyl-1-(1,3-benzodioxol-5-yl)-5-ethanoyl-pyrrole-3-carbonitrile

Systemtic Name: 4-azanyl-1-(1,3-benzodioxol-5-yl)-5-ethanoyl-pyrrole-3-carbonitrile Openeye Name: 5-acetyl-4-amino-1-(1,3-benzodioxol-5-yl)pyrrole-3-carbonitrile CAS Name: 5-acetyl-4-amino-1-(1,3-benzodioxol-5-yl)-3-pyrrolecarbonitrile IUPAC Name: 5-acetyl-4-amino-1-(1,3-benzodioxol-5-yl)pyrrole-3-carbonitrile Traditional Name: 5-acetyl-4-amino-1-(1,3-benzodioxol-5-yl)pyrrole-3-carbonitrile Formula: C14H11N3O3 MolecularWeight: 269.25544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=CN1C2=CC3=C(C=C2)OCO3)C#N)N

Isomeric SMILES

CC(=O)C1=C(C(=CN1C2=CC3=C(C=C2)OCO3)C#N)N

InChI

InChI=1S/C14H11N3O3/c1-8(18)14-13(16)9(5-15)6-17(14)10-2-3-11-12(4-10)20-7-19-11/h2-4,6H,7,16H2,1H3