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

Systemtic Name: N-(5-methylpyridin-2-yl)-4-morpholin-4-yl-N-(4-morpholin-4-yl-3-nitro-phenyl)carbonyl-3-nitro-benzamide Openeye Name: N-(5-methyl-2-pyridyl)-4-morpholino-N-(4-morpholino-3-nitro-benzoyl)-3-nitro-benzamide CAS Name: N-(5-methyl-2-pyridinyl)-4-(4-morpholinyl)-N-[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]-3-nitrobenzamide IUPAC Name: N-(5-methylpyridin-2-yl)-4-morpholin-4-yl-N-(4-morpholin-4-yl-3-nitrobenzoyl)-3-nitrobenzamide Traditional Name: N-(5-methyl-2-pyridyl)-4-morpholino-N-(4-morpholino-3-nitro-benzoyl)-3-nitro-benzamide Formula: C28H28N6O8 MolecularWeight: 576.55732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N(C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C(C=C1)N(C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C28H28N6O8/c1-19-2-7-26(29-18-19)32(27(35)20-3-5-22(24(16-20)33(37)38)30-8-12-41-13-9-30)28(36)21-4-6-23(25(17-21)34(39)40)31-10-14-42-15-11-31/h2-7,16-18H,8-15H2,1H3