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

Systemtic Name: 2-methyl-N-(2-morpholin-4-yl-4-nitro-phenyl)-3-nitro-benzamide Openeye Name: 2-methyl-N-(2-morpholino-4-nitro-phenyl)-3-nitro-benzamide CAS Name: 2-methyl-N-[2-(4-morpholinyl)-4-nitrophenyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide Traditional Name: 2-methyl-N-(2-morpholino-4-nitro-phenyl)-3-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-])C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])N3CCOCC3

InChI

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