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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C12H12ClN5O4 MolecularWeight: 325.70778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN5O4/c1-7-14-12(18(20)21)16-17(7)6-11(19)15-8-3-4-10(22-2)9(13)5-8/h3-5H,6H2,1-2H3,(H,15,19)