3-cyanopropyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: 3-cyanopropyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: 3-cyanopropyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid 3-cyanopropyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCCC#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4/c17-8-2-5-11-23-16(20)13-6-7-14(15(12-13)19(21)22)18-9-3-1-4-10-18/h6-7,12H,1-5,9-11H2