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

Systemtic Name: 1-cyanoethyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: 1-cyanoethyl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid 1-cyanoethyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-11-5-7-18(8-6-11)14-4-3-13(9-15(14)19(21)22)16(20)23-12(2)10-17/h3-4,9,11-12H,5-8H2,1-2H3