4-[3-[4-(2-methylpropoxy)-3-nitro-phenyl]-1H-1,2,4-triazol-5-yl]pyridine

Systemtic Name: 4-[3-[4-(2-methylpropoxy)-3-nitro-phenyl]-1H-1,2,4-triazol-5-yl]pyridine Openeye Name: 4-[3-(4-isobutoxy-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]pyridine CAS Name: 4-[3-[4-(2-methylpropoxy)-3-nitrophenyl]-1H-1,2,4-triazol-5-yl]pyridine IUPAC Name: 4-[3-[4-(2-methylpropoxy)-3-nitrophenyl]-1H-1,2,4-triazol-5-yl]pyridine Traditional Name: 4-[3-(4-isobutoxy-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]pyridine Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C2=NNC(=N2)C3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C2=NNC(=N2)C3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3/c1-11(2)10-25-15-4-3-13(9-14(15)22(23)24)17-19-16(20-21-17)12-5-7-18-8-6-12/h3-9,11H,10H2,1-2H3,(H,19,20,21)