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

Systemtic Name: N-[(2S)-1-[(3-iodanylphenyl)methylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-9,10-bis(oxidanylidene)anthracene-2-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-[(3-iodophenyl)methylamino]-2-oxo-ethyl]-9,10-dioxo-anthracene-2-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-[(3-iodophenyl)methylamino]-1-oxopropan-2-yl]-9,10-dioxo-2-anthracenecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-[(3-iodophenyl)methylamino]-1-oxopropan-2-yl]-9,10-dioxoanthracene-2-carboxamide Traditional Name: N-[(1S)-2-[(3-iodobenzyl)amino]-2-keto-1-methylol-ethyl]-9,10-diketo-anthracene-2-carboxamide Formula: C25H19IN2O5 MolecularWeight: 554.33323

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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)NCC4=CC(=CC=C4)I

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N[C@@H](CO)C(=O)NCC4=CC(=CC=C4)I

InChI

InChI=1S/C25H19IN2O5/c26-16-5-3-4-14(10-16)12-27-25(33)21(13-29)28-24(32)15-8-9-19-20(11-15)23(31)18-7-2-1-6-17(18)22(19)30/h1-11,21,29H,12-13H2,(H,27,33)(H,28,32)/t21-/m0/s1