3-[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-[2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-[2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 3-[2-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-keto-ethoxy]benzonitrile Formula: C19H17ClN4O4 MolecularWeight: 400.81568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)COC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)COC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H17ClN4O4/c20-15-4-5-17(18(11-15)24(26)27)22-6-8-23(9-7-22)19(25)13-28-16-3-1-2-14(10-16)12-21/h1-5,10-11H,6-9,13H2