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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C16H20N6O4 MolecularWeight: 360.3678

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C16H20N6O4/c1-2-7-21-15(17-18-19-21)11-26-16(23)13-10-12(22(24)25)5-6-14(13)20-8-3-4-9-20/h5-6,10H,2-4,7-9,11H2,1H3