1-(4-chlorophenyl)-3-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)propan-1-one

Systemtic Name: 1-(4-chlorophenyl)-3-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)propan-1-one Openeye Name: 1-(4-chlorophenyl)-3-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)propan-1-one CAS Name: 1-(4-chlorophenyl)-3-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)-1-propanone IUPAC Name: 1-(4-chlorophenyl)-3-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)propan-1-one Traditional Name: 1-(4-chlorophenyl)-3-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)propan-1-one Formula: C17H13ClN4O3 MolecularWeight: 356.76312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)C2=CC=C(C=C2)Cl)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)C2=CC=C(C=C2)Cl)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O3/c18-14-5-3-13(4-6-14)17(23)16(21-11-19-10-20-21)9-12-1-7-15(8-2-12)22(24)25/h1-8,10-11,16H,9H2