2-oxidanylidenepropyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: 2-oxidanylidenepropyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: acetonyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid acetonyl ester Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O5/c1-11(18)10-22-15(19)12-5-6-13(14(9-12)17(20)21)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3