2-[5-(4-chloranyl-3-methyl-phenoxy)-3-nitro-1,2,4-triazol-1-yl]ethanamide

Systemtic Name: 2-[5-(4-chloranyl-3-methyl-phenoxy)-3-nitro-1,2,4-triazol-1-yl]ethanamide Openeye Name: 2-[5-(4-chloro-3-methyl-phenoxy)-3-nitro-1,2,4-triazol-1-yl]acetamide CAS Name: 2-[5-(4-chloro-3-methylphenoxy)-3-nitro-1,2,4-triazol-1-yl]acetamide IUPAC Name: 2-[5-(4-chloro-3-methylphenoxy)-3-nitro-1,2,4-triazol-1-yl]acetamide Traditional Name: 2-[5-(4-chloro-3-methyl-phenoxy)-3-nitro-1,2,4-triazol-1-yl]acetamide Formula: C11H10ClN5O4 MolecularWeight: 311.6812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC(=NN2CC(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC(=NN2CC(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H10ClN5O4/c1-6-4-7(2-3-8(6)12)21-11-14-10(17(19)20)15-16(11)5-9(13)18/h2-4H,5H2,1H3,(H2,13,18)