6-(bromomethyl)-2-oxidanylidene-3-(2-phenylethanoylamino)-3,4-dihydrochromene-7-carboxylic acid

Systemtic Name: 6-(bromomethyl)-2-oxidanylidene-3-(2-phenylethanoylamino)-3,4-dihydrochromene-7-carboxylic acid Openeye Name: 6-(bromomethyl)-2-oxo-3-[(2-phenylacetyl)amino]chromane-7-carboxylic acid CAS Name: 6-(bromomethyl)-2-oxo-3-[(1-oxo-2-phenylethyl)amino]-3,4-dihydro-2H-1-benzopyran-7-carboxylic acid IUPAC Name: 6-(bromomethyl)-2-oxo-3-[(2-phenylacetyl)amino]-3,4-dihydrochromene-7-carboxylic acid Traditional Name: 6-(bromomethyl)-2-keto-3-[(2-phenylacetyl)amino]chroman-7-carboxylic acid Formula: C19H16BrNO5 MolecularWeight: 418.23804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)OC2=C1C=C(C(=C2)C(=O)O)CBr)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C(C(=O)OC2=C1C=C(C(=C2)C(=O)O)CBr)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H16BrNO5/c20-10-13-7-12-8-15(19(25)26-16(12)9-14(13)18(23)24)21-17(22)6-11-4-2-1-3-5-11/h1-5,7,9,15H,6,8,10H2,(H,21,22)(H,23,24)