3-[[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]carbonylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]carbonylamino]-2-methyl-benzoic acid Openeye Name: 3-[[7-(diethylamino)-2-oxo-chromene-3-carbonyl]amino]-2-methyl-benzoic acid CAS Name: 3-[[[7-(diethylamino)-2-oxo-1-benzopyran-3-yl]-oxomethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[[7-(diethylamino)-2-oxochromene-3-carbonyl]amino]-2-methylbenzoic acid Traditional Name: 3-[[7-(diethylamino)-2-keto-chromene-3-carbonyl]amino]-2-methyl-benzoic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NC3=CC=CC(=C3C)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NC3=CC=CC(=C3C)C(=O)O

InChI

InChI=1S/C22H22N2O5/c1-4-24(5-2)15-10-9-14-11-17(22(28)29-19(14)12-15)20(25)23-18-8-6-7-16(13(18)3)21(26)27/h6-12H,4-5H2,1-3H3,(H,23,25)(H,26,27)