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

Systemtic Name: 9,10-bis(oxidanylidene)-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]anthracene-2-carboxamide Openeye Name: N-[(1S)-2-(benzylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-9,10-dioxo-anthracene-2-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]-9,10-dioxo-2-anthracenecarboxamide IUPAC Name: N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-9,10-dioxoanthracene-2-carboxamide Traditional Name: N-[(1S)-2-(benzylamino)-2-keto-1-methylol-ethyl]-9,10-diketo-anthracene-2-carboxamide Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(CO)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)[C@H](CO)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H20N2O5/c28-14-21(25(32)26-13-15-6-2-1-3-7-15)27-24(31)16-10-11-19-20(12-16)23(30)18-9-5-4-8-17(18)22(19)29/h1-12,21,28H,13-14H2,(H,26,32)(H,27,31)/t21-/m0/s1