1-cyanoethyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: 1-cyanoethyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: 1-cyanoethyl 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid 1-cyanoethyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C#N)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C#N)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N3O4/c1-11-6-12(2)10-19(9-11)15-5-4-14(7-16(15)20(22)23)17(21)24-13(3)8-18/h4-5,7,11-13H,6,9-10H2,1-3H3