2-chloranyl-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-nitro-benzamide CAS Name: 2-chloro-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-nitro-benzamide Formula: C17H14ClN5O5 MolecularWeight: 403.77656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NN2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NN2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C17H14ClN5O5/c1-27-13-6-3-9(7-14(13)28-2)15-19-17(22-21-15)20-16(24)11-5-4-10(23(25)26)8-12(11)18/h3-8H,1-2H3,(H2,19,20,21,22,24)