(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 4-[(3R)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3R)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3R)-3-methylpiperidino]-3-nitro-benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C19H26N6O4 MolecularWeight: 402.44754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC(=C(C=C2)N3CCC[C@H](C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H26N6O4/c1-3-4-10-24-18(20-21-22-24)13-29-19(26)15-7-8-16(17(11-15)25(27)28)23-9-5-6-14(2)12-23/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3/t14-/m1/s1