2-[4-(5-methanoylthiophen-2-yl)piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(5-methanoylthiophen-2-yl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(5-formyl-2-thienyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(5-formyl-2-thiophenyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(5-formylthiophen-2-yl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(5-formyl-2-thienyl)piperazino]-5-nitro-benzonitrile Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=C(S3)C=O

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=C(S3)C=O

InChI

InChI=1S/C16H14N4O3S/c17-10-12-9-13(20(22)23)1-3-15(12)18-5-7-19(8-6-18)16-4-2-14(11-21)24-16/h1-4,9,11H,5-8H2