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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-methoxy-5-nitro-benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C13H15N5O5 MolecularWeight: 321.2887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O5/c1-3-6-17-12(14-15-16-17)8-23-13(19)10-7-9(18(20)21)4-5-11(10)22-2/h4-5,7H,3,6,8H2,1-2H3