1-butyl-4-(4-nitrophenyl)sulfonyl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-butyl-4-(4-nitrophenyl)sulfonyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-butyl-4-(4-nitrophenyl)sulfonyl-tetrazol-5-one CAS Name: 1-butyl-4-(4-nitrophenyl)sulfonyl-5-tetrazolone IUPAC Name: 1-butyl-4-(4-nitrophenyl)sulfonyltetrazol-5-one Traditional Name: 1-butyl-4-nosyl-tetrazol-5-one Formula: C11H13N5O5S MolecularWeight: 327.31642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)N(N=N1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)N(N=N1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N5O5S/c1-2-3-8-14-11(17)15(13-12-14)22(20,21)10-6-4-9(5-7-10)16(18)19/h4-7H,2-3,8H2,1H3