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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-(4-methyl-1-piperidyl)-5-nitro-benzoate CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitrobenzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-(4-methylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-methylpiperidino)-5-nitro-benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C18H24N6O4 MolecularWeight: 388.42096

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)C

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)C

InChI

InChI=1S/C18H24N6O4/c1-3-8-23-17(19-20-21-23)12-28-18(25)15-11-14(24(26)27)4-5-16(15)22-9-6-13(2)7-10-22/h4-5,11,13H,3,6-10,12H2,1-2H3