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

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-morpholino-5-nitro-benzamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(4-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=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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