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

Systemtic Name: N-[(2S)-1-(1,2-oxazol-3-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-9,10-bis(oxidanylidene)anthracene-2-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-(isoxazol-3-ylamino)-2-oxo-ethyl]-9,10-dioxo-anthracene-2-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-(3-isoxazolylamino)-1-oxopropan-2-yl]-9,10-dioxo-2-anthracenecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-9,10-dioxoanthracene-2-carboxamide Traditional Name: N-[(1S)-2-(isoxazol-3-ylamino)-2-keto-1-methylol-ethyl]-9,10-diketo-anthracene-2-carboxamide Formula: C21H15N3O6 MolecularWeight: 405.3603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC(CO)C(=O)NC4=NOC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N[C@@H](CO)C(=O)NC4=NOC=C4

InChI

InChI=1S/C21H15N3O6/c25-10-16(21(29)23-17-7-8-30-24-17)22-20(28)11-5-6-14-15(9-11)19(27)13-4-2-1-3-12(13)18(14)26/h1-9,16,25H,10H2,(H,22,28)(H,23,24,29)/t16-/m0/s1