[5-(4-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [5-(4-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [5-(4-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [5-(4-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [5-(4-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [5-(4-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(4-methyl-3-nitro-phenyl)methanone Formula: C19H17ClN4O4 MolecularWeight: 400.81568

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN(C(=N1)C2=CC=C(C=C2)Cl)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=NN(C(=N1)C2=CC=C(C=C2)Cl)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN4O4/c1-3-10-28-19-21-17(13-6-8-15(20)9-7-13)23(22-19)18(25)14-5-4-12(2)16(11-14)24(26)27/h4-9,11H,3,10H2,1-2H3