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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-chloranyl-5-nitro-benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C12H12ClN5O4 MolecularWeight: 325.70778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H12ClN5O4/c1-2-5-17-11(14-15-16-17)7-22-12(19)9-6-8(18(20)21)3-4-10(9)13/h3-4,6H,2,5,7H2,1H3