(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-nitrobenzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-nitrobenzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C13H15N5O4 MolecularWeight: 305.2893

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O4/c1-2-3-8-17-12(14-15-16-17)9-22-13(19)10-4-6-11(7-5-10)18(20)21/h4-7H,2-3,8-9H2,1H3