2-chloranyl-N-[2-(4-dimethylaminophenyl)-2-morpholin-4-yl-ethyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-(4-dimethylaminophenyl)-2-morpholin-4-yl-ethyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[2-(4-dimethylaminophenyl)-2-morpholino-ethyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[2-(4-dimethylaminophenyl)-2-(4-morpholinyl)ethyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[2-(4-dimethylaminophenyl)-2-morpholin-4-ylethyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[2-(4-dimethylaminophenyl)-2-morpholino-ethyl]-5-nitro-benzamide Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)N3CCOCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)N3CCOCC3

InChI

InChI=1S/C21H25ClN4O4/c1-24(2)16-5-3-15(4-6-16)20(25-9-11-30-12-10-25)14-23-21(27)18-13-17(26(28)29)7-8-19(18)22/h3-8,13,20H,9-12,14H2,1-2H3,(H,23,27)