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

Systemtic Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-nitro-benzamide Openeye Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-nitro-benzamide CAS Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-nitrobenzamide IUPAC Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-nitrobenzamide Traditional Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-nitro-benzamide Formula: C16H13N5O4 MolecularWeight: 339.30552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O4/c1-25-13-7-5-10(6-8-13)14-17-16(20-19-14)18-15(22)11-3-2-4-12(9-11)21(23)24/h2-9H,1H3,(H2,17,18,19,20,22)