6'-(diethylamino)-3-oxidanylidene-2'-phenylazanyl-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid

Systemtic Name: 6'-(diethylamino)-3-oxidanylidene-2'-phenylazanyl-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid Openeye Name: 2'-anilino-6'-(diethylamino)-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid CAS Name: 2'-anilino-6'-(diethylamino)-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]carboxylic acid IUPAC Name: 2'-anilino-6'-(diethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid Traditional Name: 2'-anilino-6'-(diethylamino)-3-keto-spiro[phthalan-1,9'-xanthene]-5-carboxylic acid Formula: C31H26N2O5 MolecularWeight: 506.54854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)C(=O)O)C(=O)O3)C5=C(O2)C=CC(=C5)NC6=CC=CC=C6

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)C(=O)O)C(=O)O3)C5=C(O2)C=CC(=C5)NC6=CC=CC=C6

InChI

InChI=1S/C31H26N2O5/c1-3-33(4-2)22-12-14-25-28(18-22)37-27-15-11-21(32-20-8-6-5-7-9-20)17-26(27)31(25)24-13-10-19(29(34)35)16-23(24)30(36)38-31/h5-18,32H,3-4H2,1-2H3,(H,34,35)