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

Systemtic Name: N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-nitro-benzamide Openeye Name: N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-nitro-benzamide CAS Name: N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-nitrobenzamide IUPAC Name: N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-nitrobenzamide Traditional Name: N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-nitro-benzamide Formula: C17H15N5O5 MolecularWeight: 369.3315

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O5/c1-26-13-8-5-11(9-14(13)27-2)15-18-17(21-20-15)19-16(23)10-3-6-12(7-4-10)22(24)25/h3-9H,1-2H3,(H2,18,19,20,21,23)