4-[4-(2,4-dinitrophenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(2,4-dinitrophenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(2,4-dinitrophenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(2,4-dinitrophenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2,4-dinitrophenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(2,4-dinitrophenyl)piperazino]sulfonylbenzonitrile Formula: C17H15N5O6S MolecularWeight: 417.3959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O6S/c18-12-13-1-4-15(5-2-13)29(27,28)20-9-7-19(8-10-20)16-6-3-14(21(23)24)11-17(16)22(25)26/h1-6,11H,7-10H2