cyanomethyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4/c1-11-4-7-17(8-5-11)13-3-2-12(10-14(13)18(20)21)15(19)22-9-6-16/h2-3,10-11H,4-5,7-9H2,1H3