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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C12H12ClN5O5 MolecularWeight: 341.70718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CN2C=NC(=N2)[N+](=O)[O-])OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CN2C=NC(=N2)[N+](=O)[O-])OC)Cl

InChI

InChI=1S/C12H12ClN5O5/c1-22-9-4-8(10(23-2)3-7(9)13)15-11(19)5-17-6-14-12(16-17)18(20)21/h3-4,6H,5H2,1-2H3,(H,15,19)