N-(2,4-dimorpholin-4-ylphenyl)-3-nitro-benzamide

Systemtic Name: N-(2,4-dimorpholin-4-ylphenyl)-3-nitro-benzamide Openeye Name: N-(2,4-dimorpholinophenyl)-3-nitro-benzamide CAS Name: N-[2,4-bis(4-morpholinyl)phenyl]-3-nitrobenzamide IUPAC Name: N-(2,4-dimorpholin-4-ylphenyl)-3-nitrobenzamide Traditional Name: N-(2,4-dimorpholinophenyl)-3-nitro-benzamide Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1COCCN1C2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C21H24N4O5/c26-21(16-2-1-3-18(14-16)25(27)28)22-19-5-4-17(23-6-10-29-11-7-23)15-20(19)24-8-12-30-13-9-24/h1-5,14-15H,6-13H2,(H,22,26)