2-azanylethanoyl 3-[3-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonyl-2,4,6-tris(iodanyl)-5-(methylamino)benzoate

Systemtic Name: 2-azanylethanoyl 3-[3-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonyl-2,4,6-tris(iodanyl)-5-(methylamino)benzoate Openeye Name: (2-aminoacetyl) 3-[3-[acetyl(methyl)amino]-2,4,6-triiodo-benzoyl]-2,4,6-triiodo-5-(methylamino)benzoate CAS Name: 3-[[3-[acetyl(methyl)amino]-2,4,6-triiodophenyl]-oxomethyl]-2,4,6-triiodo-5-(methylamino)benzoic acid (2-amino-1-oxoethyl) ester IUPAC Name: (2-aminoacetyl) 3-[3-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl]-2,4,6-triiodo-5-(methylamino)benzoate Traditional Name: 3-[3-[acetyl(methyl)amino]-2,4,6-triiodo-benzoyl]-2,4,6-triiodo-5-(methylamino)benzoic acid glycyl ester Formula: C20H15I6N3O5 MolecularWeight: 1138.77702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=C(C=C(C(=C1I)C(=O)C2=C(C(=C(C(=C2I)NC)I)C(=O)OC(=O)CN)I)I)I

Isomeric SMILES

CC(=O)N(C)C1=C(C=C(C(=C1I)C(=O)C2=C(C(=C(C(=C2I)NC)I)C(=O)OC(=O)CN)I)I)I

InChI

InChI=1S/C20H15I6N3O5/c1-6(30)29(3)18-8(22)4-7(21)10(16(18)26)19(32)11-13(23)12(20(33)34-9(31)5-27)15(25)17(28-2)14(11)24/h4,28H,5,27H2,1-3H3