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

Systemtic Name: 4-[[(2S)-6-chloranyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoate Openeye Name: 4-[[(2S)-6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate CAS Name: 4-[[(2S)-6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate IUPAC Name: 4-[[(2S)-6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate Traditional Name: 4-[[(2S)-6-chloro-3-keto-2-methyl-1,4-benzoxazin-4-yl]methyl]benzoate Formula: C17H13ClNO4- MolecularWeight: 330.74242

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClNO4/c1-10-16(20)19(14-8-13(18)6-7-15(14)23-10)9-11-2-4-12(5-3-11)17(21)22/h2-8,10H,9H2,1H3,(H,21,22)/p-1/t10-/m0/s1