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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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