4-[[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[1-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(3-keto-1,4-benzoxazin-4-yl)acetyl]amino]methyl]benzoic acid Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2O1)CC(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2O1)CC(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H16N2O5/c21-16(19-9-12-5-7-13(8-6-12)18(23)24)10-20-14-3-1-2-4-15(14)25-11-17(20)22/h1-8H,9-11H2,(H,19,21)(H,23,24)