N-(2-methyl-2-morpholin-4-yl-propyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-(2-methyl-2-morpholin-4-yl-propyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(2-methyl-2-morpholino-propyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-methyl-2-(4-morpholinyl)propyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(2-methyl-2-morpholin-4-ylpropyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(2-methyl-2-morpholino-propyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C17H22N6O4/c1-17(2,21-5-7-27-8-6-21)10-19-16(24)13-3-4-14(15(9-13)23(25)26)22-12-18-11-20-22/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,24)