[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] ester IUPAC Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-keto-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] ester Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2O1)C(=O)COC(=O)C3=CC=CC=[N+]3[O-])C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](N(C2=CC=CC=C2O1)C(=O)COC(=O)C3=CC=CC=[N+]3[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O5/c25-21(15-29-22(26)18-11-6-7-13-23(18)27)24-17-10-4-5-12-20(17)28-14-19(24)16-8-2-1-3-9-16/h1-13,19H,14-15H2/t19-/m1/s1