N-(2-methoxy-5-nitro-phenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C12H12N6O6 MolecularWeight: 336.26028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O6/c1-7-13-12(18(22)23)15-16(7)6-11(19)14-9-5-8(17(20)21)3-4-10(9)24-2/h3-5H,6H2,1-2H3,(H,14,19)