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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-morpholino-5-nitro-benzamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-2-morpholino-5-nitro-benzamide Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C18H18N4O6/c1-12-15(3-2-4-16(12)22(26)27)19-18(23)14-11-13(21(24)25)5-6-17(14)20-7-9-28-10-8-20/h2-6,11H,7-10H2,1H3,(H,19,23)