[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O5/c1-11-5-4-8-16(9-11)14(18)10-22-15(19)12-6-2-3-7-13(12)17(20)21/h2-3,6-7,11H,4-5,8-10H2,1H3/t11-/m0/s1