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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(dimethylamino)-5-nitro-benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C14H18N6O4 MolecularWeight: 334.33052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N6O4/c1-4-7-19-13(15-16-17-19)9-24-14(21)11-8-10(20(22)23)5-6-12(11)18(2)3/h5-6,8H,4,7,9H2,1-3H3