(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C15H20N6O4 MolecularWeight: 348.3571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N6O4/c1-4-5-8-20-14(16-17-18-20)10-25-15(22)11-6-7-12(19(2)3)13(9-11)21(23)24/h6-7,9H,4-5,8,10H2,1-3H3