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

Systemtic Name: 2-oxidanylidenepropyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: acetonyl 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid acetonyl ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5/c1-11-6-12(2)9-18(8-11)15-5-4-14(7-16(15)19(22)23)17(21)24-10-13(3)20/h4-5,7,11-12H,6,8-10H2,1-3H3