3-(2-chloranyl-5-nitro-phenyl)-2,4-bis(morpholin-4-ylcarbonyl)pentanedinitrile

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-2,4-bis(morpholin-4-ylcarbonyl)pentanedinitrile Openeye Name: 3-(2-chloro-5-nitro-phenyl)-2,4-bis(morpholine-4-carbonyl)pentanedinitrile CAS Name: 3-(2-chloro-5-nitrophenyl)-2,4-bis[4-morpholinyl(oxo)methyl]pentanedinitrile IUPAC Name: 3-(2-chloro-5-nitrophenyl)-2,4-bis(morpholine-4-carbonyl)pentanedinitrile Traditional Name: 3-(2-chloro-5-nitro-phenyl)-2,4-bis(morpholine-4-carbonyl)glutaronitrile Formula: C21H22ClN5O6 MolecularWeight: 475.88228

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(C#N)C(C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(C#N)C(=O)N3CCOCC3

Isomeric SMILES

C1COCCN1C(=O)C(C#N)C(C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(C#N)C(=O)N3CCOCC3

InChI

InChI=1S/C21H22ClN5O6/c22-18-2-1-14(27(30)31)11-15(18)19(16(12-23)20(28)25-3-7-32-8-4-25)17(13-24)21(29)26-5-9-33-10-6-26/h1-2,11,16-17,19H,3-10H2