2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(2-keto-2-morpholino-ethyl)piperazino]-5-nitro-benzonitrile Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N2CCOCC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CCN1CC(=O)N2CCOCC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H21N5O4/c18-12-14-11-15(22(24)25)1-2-16(14)20-5-3-19(4-6-20)13-17(23)21-7-9-26-10-8-21/h1-2,11H,3-10,13H2