3-(4-chloranyl-3-nitro-phenyl)-5-(phenoxymethyl)-1H-1,2,4-triazole

Systemtic Name: 3-(4-chloranyl-3-nitro-phenyl)-5-(phenoxymethyl)-1H-1,2,4-triazole Openeye Name: 3-(4-chloro-3-nitro-phenyl)-5-(phenoxymethyl)-1H-1,2,4-triazole CAS Name: 3-(4-chloro-3-nitrophenyl)-5-(phenoxymethyl)-1H-1,2,4-triazole IUPAC Name: 3-(4-chloro-3-nitrophenyl)-5-(phenoxymethyl)-1H-1,2,4-triazole Traditional Name: 3-(4-chloro-3-nitro-phenyl)-5-(phenoxymethyl)-1H-1,2,4-triazole Formula: C15H11ClN4O3 MolecularWeight: 330.72584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NC(=NN2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NC(=NN2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H11ClN4O3/c16-12-7-6-10(8-13(12)20(21)22)15-17-14(18-19-15)9-23-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18,19)