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

Systemtic Name: 2-chloranyl-4-[3-[4-(2-methylpropoxy)-3-nitro-phenyl]-1H-1,2,4-triazol-5-yl]pyridine Openeye Name: 2-chloro-4-[3-(4-isobutoxy-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]pyridine CAS Name: 2-chloro-4-[3-[4-(2-methylpropoxy)-3-nitrophenyl]-1H-1,2,4-triazol-5-yl]pyridine IUPAC Name: 2-chloro-4-[3-[4-(2-methylpropoxy)-3-nitrophenyl]-1H-1,2,4-triazol-5-yl]pyridine Traditional Name: 2-chloro-4-[3-(4-isobutoxy-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]pyridine Formula: C17H16ClN5O3 MolecularWeight: 373.79364

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN5O3/c1-10(2)9-26-14-4-3-11(7-13(14)23(24)25)16-20-17(22-21-16)12-5-6-19-15(18)8-12/h3-8,10H,9H2,1-2H3,(H,20,21,22)