1-methyl-7-nitro-4-[1-(phenylsulfonyl)propyl]benzotriazole

Systemtic Name: 1-methyl-7-nitro-4-[1-(phenylsulfonyl)propyl]benzotriazole Openeye Name: 4-[1-(benzenesulfonyl)propyl]-1-methyl-7-nitro-benzotriazole CAS Name: 4-[1-(benzenesulfonyl)propyl]-1-methyl-7-nitrobenzotriazole IUPAC Name: 4-[1-(benzenesulfonyl)propyl]-1-methyl-7-nitrobenzotriazole Traditional Name: 4-(1-besylpropyl)-1-methyl-7-nitro-benzotriazole Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C2C(=C(C=C1)[N+](=O)[O-])N(N=N2)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C1=C2C(=C(C=C1)[N+](=O)[O-])N(N=N2)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H16N4O4S/c1-3-14(25(23,24)11-7-5-4-6-8-11)12-9-10-13(20(21)22)16-15(12)17-18-19(16)2/h4-10,14H,3H2,1-2H3