N-(5-chloranylpyridin-2-yl)-4-morpholin-4-yl-N-(4-morpholin-4-yl-3-nitro-phenyl)carbonyl-3-nitro-benzamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-4-morpholin-4-yl-N-(4-morpholin-4-yl-3-nitro-phenyl)carbonyl-3-nitro-benzamide Openeye Name: N-(5-chloro-2-pyridyl)-4-morpholino-N-(4-morpholino-3-nitro-benzoyl)-3-nitro-benzamide CAS Name: N-(5-chloro-2-pyridinyl)-4-(4-morpholinyl)-N-[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]-3-nitrobenzamide IUPAC Name: N-(5-chloropyridin-2-yl)-4-morpholin-4-yl-N-(4-morpholin-4-yl-3-nitrobenzoyl)-3-nitrobenzamide Traditional Name: N-(5-chloro-2-pyridyl)-4-morpholino-N-(4-morpholino-3-nitro-benzoyl)-3-nitro-benzamide Formula: C27H25ClN6O8 MolecularWeight: 596.9758

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)N(C3=NC=C(C=C3)Cl)C(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)N(C3=NC=C(C=C3)Cl)C(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H25ClN6O8/c28-20-3-6-25(29-17-20)32(26(35)18-1-4-21(23(15-18)33(37)38)30-7-11-41-12-8-30)27(36)19-2-5-22(24(16-19)34(39)40)31-9-13-42-14-10-31/h1-6,15-17H,7-14H2