copper 4-[pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzenecarbonitrile

Systemtic Name: copper 4-[pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzenecarbonitrile Openeye Name: copper 4-[pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzonitrile CAS Name: copper 4-[2-pyrrol-1-idyl(2-pyrrolylidene)methyl]benzonitrile IUPAC Name: copper 4-[pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzonitrile Traditional Name: cupric 4-[pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzonitrile Formula: C32H20CuN6 MolecularWeight: 552.0874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=CC=C(C=C2)C#N)C3=CC=C[N-]3)N=C1.C1=CC(=C(C2=CC=C(C=C2)C#N)C3=CC=C[N-]3)N=C1.[Cu+2]

Isomeric SMILES

C1=CC(=C(C2=CC=C(C=C2)C#N)C3=CC=C[N-]3)N=C1.C1=CC(=C(C2=CC=C(C=C2)C#N)C3=CC=C[N-]3)N=C1.[Cu+2]

InChI

InChI=1S/2C16H10N3.Cu/c2*17-11-12-5-7-13(8-6-12)16(14-3-1-9-18-14)15-4-2-10-19-15;/h2*1-10H;/q2*-1;+2