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

Systemtic Name: 2-methyl-4-[3-[3-nitro-4-(phenylmethoxymethoxy)phenyl]-1H-1,2,4-triazol-5-yl]pyridine Openeye Name: 4-[3-[4-(benzyloxymethoxy)-3-nitro-phenyl]-1H-1,2,4-triazol-5-yl]-2-methyl-pyridine CAS Name: 2-methyl-4-[3-[3-nitro-4-(phenylmethoxymethoxy)phenyl]-1H-1,2,4-triazol-5-yl]pyridine IUPAC Name: 2-methyl-4-[3-[3-nitro-4-(phenylmethoxymethoxy)phenyl]-1H-1,2,4-triazol-5-yl]pyridine Traditional Name: 4-[3-[4-(benzoxymethoxy)-3-nitro-phenyl]-1H-1,2,4-triazol-5-yl]-2-methyl-pyridine Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)OCOCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)OCOCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O4/c1-15-11-18(9-10-23-15)22-24-21(25-26-22)17-7-8-20(19(12-17)27(28)29)31-14-30-13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,24,25,26)