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

Systemtic Name: 1-(4-methylpentyl)-4-(4-nitrophenyl)-1,2,3,4-tetrazol-5-one Openeye Name: 1-isohexyl-4-(4-nitrophenyl)tetrazol-5-one CAS Name: 1-(4-methylpentyl)-4-(4-nitrophenyl)-5-tetrazolone IUPAC Name: 1-(4-methylpentyl)-4-(4-nitrophenyl)tetrazol-5-one Traditional Name: 1-isohexyl-4-(4-nitrophenyl)tetrazol-5-one Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN1C(=O)N(N=N1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCCN1C(=O)N(N=N1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O3/c1-10(2)4-3-9-16-13(19)17(15-14-16)11-5-7-12(8-6-11)18(20)21/h5-8,10H,3-4,9H2,1-2H3