cyanomethyl 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: cyanomethyl 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: cyanomethyl 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid cyanomethyl ester Formula: C15H17N3O4 MolecularWeight: 303.31318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC#N)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4/c1-11-3-2-7-17(10-11)13-5-4-12(9-14(13)18(20)21)15(19)22-8-6-16/h4-5,9,11H,2-3,7-8,10H2,1H3/t11-/m0/s1