methyl 4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[(2S)-2-ethylpiperidino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O6/c1-3-13-6-4-5-9-18(13)16(20)11-25-15-8-7-12(17(21)24-2)10-14(15)19(22)23/h7-8,10,13H,3-6,9,11H2,1-2H3/t13-/m0/s1