N-[(E)-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-cyano-ethanamide

Systemtic Name: N-[(E)-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-cyano-ethanamide Openeye Name: N-[(E)-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-cyano-acetamide CAS Name: N-[(E)-[1-(3-bromophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-2-cyanoacetamide IUPAC Name: N-[(E)-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-cyanoacetamide Traditional Name: N-[(E)-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-cyano-acetamide Formula: C16H15BrN4O MolecularWeight: 359.2205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C=NNC(=O)CC#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)/C=N/NC(=O)CC#N

InChI

InChI=1S/C16H15BrN4O/c1-11-8-13(10-19-20-16(22)6-7-18)12(2)21(11)15-5-3-4-14(17)9-15/h3-5,8-10H,6H2,1-2H3,(H,20,22)/b19-10+