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

Systemtic Name: 2-chloranyl-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-nitro-benzamide CAS Name: 2-chloro-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-nitro-benzamide Formula: C16H12ClN5O4 MolecularWeight: 373.75058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN5O4/c1-26-11-5-2-9(3-6-11)14-18-16(21-20-14)19-15(23)12-7-4-10(22(24)25)8-13(12)17/h2-8H,1H3,(H2,18,19,20,21,23)