4-[2-(1,2-benzoxazol-3-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(1,2-benzoxazol-3-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]benzoic acid Traditional Name: 4-[(2-indoxazen-3-ylacetyl)amino]benzoic acid Formula: C16H12N2O4 MolecularWeight: 296.27748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NO2)CC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NO2)CC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H12N2O4/c19-15(17-11-7-5-10(6-8-11)16(20)21)9-13-12-3-1-2-4-14(12)22-18-13/h1-8H,9H2,(H,17,19)(H,20,21)