[(2S,3S,4S)-2-methyl-4-(prop-2-enoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl] 4-nitrobenzoate

Systemtic Name: [(2S,3S,4S)-2-methyl-4-(prop-2-enoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl] 4-nitrobenzoate Openeye Name: [(2S,3S,4S)-4-(allyloxycarbonylamino)-2-methyl-3,4-dihydro-2H-pyran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,3S,4S)-2-methyl-4-[[oxo(prop-2-enoxy)methyl]amino]-3,4-dihydro-2H-pyran-3-yl] ester IUPAC Name: [(2S,3S,4S)-2-methyl-4-(prop-2-enoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,3S,4S)-4-(allyloxycarbonylamino)-2-methyl-3,4-dihydro-2H-pyran-3-yl] ester Formula: C17H18N2O7 MolecularWeight: 362.33402

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C=CO1)NC(=O)OCC=C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1[C@H]([C@H](C=CO1)NC(=O)OCC=C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O7/c1-3-9-25-17(21)18-14-8-10-24-11(2)15(14)26-16(20)12-4-6-13(7-5-12)19(22)23/h3-8,10-11,14-15H,1,9H2,2H3,(H,18,21)/t11-,14-,15+/m0/s1