[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic 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] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-keto-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] ester Formula: C22H17ClN2O4 MolecularWeight: 408.83438

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2O1)C(=O)COC(=O)C3=CN=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](N(C2=CC=CC=C2O1)C(=O)COC(=O)C3=CN=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H17ClN2O4/c23-20-11-10-16(12-24-20)22(27)29-14-21(26)25-17-8-4-5-9-19(17)28-13-18(25)15-6-2-1-3-7-15/h1-12,18H,13-14H2/t18-/m1/s1