2-[(2S)-6-chloranyl-4-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-6-chloranyl-4-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-6-chloro-4-isobutyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-6-chloro-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-6-chloro-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-6-chloro-4-isobutyl-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C14H16ClNO4 MolecularWeight: 297.73414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)Cl)OC(C1=O)CC(=O)O

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)Cl)O[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C14H16ClNO4/c1-8(2)7-16-10-5-9(15)3-4-11(10)20-12(14(16)19)6-13(17)18/h3-5,8,12H,6-7H2,1-2H3,(H,17,18)/t12-/m0/s1