methyl 4-[[(2S)-6-methanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(2S)-6-methanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoate Openeye Name: methyl 4-[[(2S)-6-formyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate CAS Name: 4-[[(2S)-6-formyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-6-formyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate Traditional Name: 4-[[(2S)-6-formyl-3-keto-2-methyl-1,4-benzoxazin-4-yl]methyl]benzoic acid methyl ester Formula: C19H17NO5 MolecularWeight: 339.34198

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H17NO5/c1-12-18(22)20(16-9-14(11-21)5-8-17(16)25-12)10-13-3-6-15(7-4-13)19(23)24-2/h3-9,11-12H,10H2,1-2H3/t12-/m0/s1