(2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-methyl-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-methyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCCC2)[N+](=O)[O-]

InChI

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