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

Systemtic Name: 4-bromanyl-N-(2,4-dimorpholin-4-ylphenyl)-3-nitro-benzamide Openeye Name: 4-bromo-N-(2,4-dimorpholinophenyl)-3-nitro-benzamide CAS Name: N-[2,4-bis(4-morpholinyl)phenyl]-4-bromo-3-nitrobenzamide IUPAC Name: 4-bromo-N-(2,4-dimorpholin-4-ylphenyl)-3-nitrobenzamide Traditional Name: 4-bromo-N-(2,4-dimorpholinophenyl)-3-nitro-benzamide Formula: C21H23BrN4O5 MolecularWeight: 491.33512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O5/c22-17-3-1-15(13-19(17)26(28)29)21(27)23-18-4-2-16(24-5-9-30-10-6-24)14-20(18)25-7-11-31-12-8-25/h1-4,13-14H,5-12H2,(H,23,27)