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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 4-methyl-3-nitro-benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C13H15N5O4 MolecularWeight: 305.2893

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O4/c1-3-6-17-12(14-15-16-17)8-22-13(19)10-5-4-9(2)11(7-10)18(20)21/h4-5,7H,3,6,8H2,1-2H3