4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(2-chlorobenzoyl)piperazino]-3-nitro-benzonitrile Formula: C18H15ClN4O3 MolecularWeight: 370.7897

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H15ClN4O3/c19-15-4-2-1-3-14(15)18(24)22-9-7-21(8-10-22)16-6-5-13(12-20)11-17(16)23(25)26/h1-6,11H,7-10H2