4-oxidanyl-3-[oxidanyl-[1-oxidanylidene-3-(phenethylamino)inden-2-yl]-(phenethylamino)methoxy]naphthalene-1,2-dione

Systemtic Name: 4-oxidanyl-3-[oxidanyl-[1-oxidanylidene-3-(phenethylamino)inden-2-yl]-(phenethylamino)methoxy]naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-[hydroxy-[1-oxo-3-(phenethylamino)inden-2-yl]-(phenethylamino)methoxy]naphthalene-1,2-dione CAS Name: 4-hydroxy-3-[hydroxy-[1-oxo-3-(phenethylamino)-2-indenyl]-(phenethylamino)methoxy]naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-[hydroxy-[1-oxo-3-(phenethylamino)inden-2-yl]-(phenethylamino)methoxy]naphthalene-1,2-dione Traditional Name: 4-hydroxy-3-[hydroxy-[1-keto-3-(phenethylamino)inden-2-yl]-(phenethylamino)methoxy]-1,2-naphthoquinone Formula: C36H30N2O6 MolecularWeight: 586.6332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C(C(=O)C3=CC=CC=C32)C(NCCC4=CC=CC=C4)(O)OC5=C(C6=CC=CC=C6C(=O)C5=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C(C(=O)C3=CC=CC=C32)C(NCCC4=CC=CC=C4)(O)OC5=C(C6=CC=CC=C6C(=O)C5=O)O

InChI

InChI=1S/C36H30N2O6/c39-31-26-16-8-7-15-25(26)30(37-21-19-23-11-3-1-4-12-23)29(31)36(43,38-22-20-24-13-5-2-6-14-24)44-35-33(41)28-18-10-9-17-27(28)32(40)34(35)42/h1-18,37-38,41,43H,19-22H2