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

Systemtic Name: 2-[(2S)-6-chloranyl-4-[(2-methylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-6-chloro-4-(o-tolylmethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-6-chloro-4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-6-chloro-4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-6-chloro-3-keto-4-(2-methylbenzyl)-1,4-benzoxazin-2-yl]acetic acid Formula: C18H16ClNO4 MolecularWeight: 345.77694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)Cl)OC(C2=O)CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)Cl)O[C@H](C2=O)CC(=O)O

InChI

InChI=1S/C18H16ClNO4/c1-11-4-2-3-5-12(11)10-20-14-8-13(19)6-7-15(14)24-16(18(20)23)9-17(21)22/h2-8,16H,9-10H2,1H3,(H,21,22)/t16-/m0/s1