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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C14H18N6O5 MolecularWeight: 350.32992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N6O5/c1-2-6-19-13(16-17-18-19)9-25-14(22)11-8-10(20(23)24)3-4-12(11)15-5-7-21/h3-4,8,15,21H,2,5-7,9H2,1H3