N-[(2S)-1-[(4-methoxyphenyl)amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-9,10-bis(oxidanylidene)anthracene-2-carboxamide

Systemtic Name: N-[(2S)-1-[(4-methoxyphenyl)amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-9,10-bis(oxidanylidene)anthracene-2-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-(4-methoxyanilino)-2-oxo-ethyl]-9,10-dioxo-anthracene-2-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-9,10-dioxo-2-anthracenecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-9,10-dioxoanthracene-2-carboxamide Traditional Name: 9,10-diketo-N-[(1S)-2-keto-1-methylol-2-(p-anisidino)ethyl]anthracene-2-carboxamide Formula: C25H20N2O6 MolecularWeight: 444.4361

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(CO)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)[C@H](CO)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H20N2O6/c1-33-16-9-7-15(8-10-16)26-25(32)21(13-28)27-24(31)14-6-11-19-20(12-14)23(30)18-5-3-2-4-17(18)22(19)29/h2-12,21,28H,13H2,1H3,(H,26,32)(H,27,31)/t21-/m0/s1