1-[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]-3-(3-nitrophenoxy)propan-2-ol

Systemtic Name: 1-[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]-3-(3-nitrophenoxy)propan-2-ol Openeye Name: 1-(3-nitrophenoxy)-3-[5-(p-tolyl)tetrazol-2-yl]propan-2-ol CAS Name: 1-[5-(4-methylphenyl)-2-tetrazolyl]-3-(3-nitrophenoxy)-2-propanol IUPAC Name: 1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(3-nitrophenoxy)propan-2-ol Traditional Name: 1-(3-nitrophenoxy)-3-[5-(p-tolyl)tetrazol-2-yl]propan-2-ol Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(N=N2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(N=N2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N5O4/c1-12-5-7-13(8-6-12)17-18-20-21(19-17)10-15(23)11-26-16-4-2-3-14(9-16)22(24)25/h2-9,15,23H,10-11H2,1H3