2-(4-morpholin-4-ylcarbonylpiperazin-1-yl)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(4-morpholin-4-ylcarbonylpiperazin-1-yl)-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(morpholine-4-carbonyl)piperazino]-5-nitro-benzonitrile Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(=O)N3CCOCC3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(=O)N3CCOCC3

InChI

InChI=1S/C16H19N5O4/c17-12-13-11-14(21(23)24)1-2-15(13)18-3-5-19(6-4-18)16(22)20-7-9-25-10-8-20/h1-2,11H,3-10H2