4-[(3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)methyl]benzoic acid

Systemtic Name: 4-[(3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)methyl]benzoic acid Openeye Name: 4-[(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)methyl]benzoic acid CAS Name: 4-[[3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 4-[(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)methyl]benzoic acid Traditional Name: 4-[(3-keto-6-propionyl-1,4-benzoxazin-4-yl)methyl]benzoic acid Formula: C19H17NO5 MolecularWeight: 339.34198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17NO5/c1-2-16(21)14-7-8-17-15(9-14)20(18(22)11-25-17)10-12-3-5-13(6-4-12)19(23)24/h3-9H,2,10-11H2,1H3,(H,23,24)