4-azanyl-1-(3-chlorophenyl)-5-ethanoyl-pyrrole-3-carbonitrile

Systemtic Name: 4-azanyl-1-(3-chlorophenyl)-5-ethanoyl-pyrrole-3-carbonitrile Openeye Name: 5-acetyl-4-amino-1-(3-chlorophenyl)pyrrole-3-carbonitrile CAS Name: 5-acetyl-4-amino-1-(3-chlorophenyl)-3-pyrrolecarbonitrile IUPAC Name: 5-acetyl-4-amino-1-(3-chlorophenyl)pyrrole-3-carbonitrile Traditional Name: 5-acetyl-4-amino-1-(3-chlorophenyl)pyrrole-3-carbonitrile Formula: C13H10ClN3O MolecularWeight: 259.691

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=CN1C2=CC(=CC=C2)Cl)C#N)N

Isomeric SMILES

CC(=O)C1=C(C(=CN1C2=CC(=CC=C2)Cl)C#N)N

InChI

InChI=1S/C13H10ClN3O/c1-8(18)13-12(16)9(6-15)7-17(13)11-4-2-3-10(14)5-11/h2-5,7H,16H2,1H3