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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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