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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C13H14BrN5O4 MolecularWeight: 384.18536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrN5O4/c1-2-3-6-18-12(15-16-17-18)8-23-13(20)9-4-5-10(14)11(7-9)19(21)22/h4-5,7H,2-3,6,8H2,1H3