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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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