5-(4-methylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,2,3,4-tetrazole

Systemtic Name: 5-(4-methylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,2,3,4-tetrazole Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-5-(p-tolyl)tetrazole CAS Name: 5-(4-methylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]tetrazole IUPAC Name: 5-(4-methylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]tetrazole Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-5-(p-tolyl)tetrazole Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(N=N2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(N=N2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C17H15N5O4/c1-11-2-4-12(5-3-11)17-18-20-21(19-17)8-13-6-15(22(23)24)7-14-9-25-10-26-16(13)14/h2-7H,8-10H2,1H3