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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C14H17N5O4 MolecularWeight: 319.31588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O4/c1-3-4-7-18-13(15-16-17-18)9-23-14(20)11-5-6-12(19(21)22)10(2)8-11/h5-6,8H,3-4,7,9H2,1-2H3