[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C18H20N4O6 MolecularWeight: 388.3746

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NOC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NOC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6/c1-12-3-2-7-21(10-12)14-5-4-13(9-15(14)22(25)26)18(24)27-11-17(23)19-16-6-8-28-20-16/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H,19,20,23)/t12-/m0/s1