N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-9,10-bis(oxidanylidene)anthracene-2-carboxamide

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-9,10-bis(oxidanylidene)anthracene-2-carboxamide Openeye Name: N-[(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-9,10-dioxo-anthracene-2-carboxamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-9,10-dioxo-2-anthracenecarboxamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-9,10-dioxoanthracene-2-carboxamide Traditional Name: 9,10-diketo-N-[(1S)-2-keto-1-methylol-2-(piperonylamino)ethyl]anthracene-2-carboxamide Formula: C26H20N2O7 MolecularWeight: 472.4462

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CO)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)[C@H](CO)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H20N2O7/c29-12-20(26(33)27-11-14-5-8-21-22(9-14)35-13-34-21)28-25(32)15-6-7-18-19(10-15)24(31)17-4-2-1-3-16(17)23(18)30/h1-10,20,29H,11-13H2,(H,27,33)(H,28,32)/t20-/m0/s1