4-morpholin-4-yl-3-nitro-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide Openeye Name: 4-morpholino-3-nitro-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[3-nitro-4-(1-piperazinyl)phenyl]benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide Traditional Name: 4-morpholino-3-nitro-N-(3-nitro-4-piperazino-phenyl)benzamide Formula: C21H24N6O6 MolecularWeight: 456.45186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O6/c28-21(15-1-3-17(19(13-15)26(29)30)25-9-11-33-12-10-25)23-16-2-4-18(20(14-16)27(31)32)24-7-5-22-6-8-24/h1-4,13-14,22H,5-12H2,(H,23,28)