3-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

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