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

Systemtic Name: N-(2-methyl-4-morpholin-4-yl-phenyl)-3,5-dinitro-benzamide Openeye Name: N-(2-methyl-4-morpholino-phenyl)-3,5-dinitro-benzamide CAS Name: N-[2-methyl-4-(4-morpholinyl)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-(2-methyl-4-morpholin-4-ylphenyl)-3,5-dinitrobenzamide Traditional Name: N-(2-methyl-4-morpholino-phenyl)-3,5-dinitro-benzamide Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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