[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanyl-2,4,6-tris(iodanyl)benzoate

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanyl-2,4,6-tris(iodanyl)benzoate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] 3-amino-2,4,6-triiodo-benzoate CAS Name: 3-amino-2,4,6-triiodobenzoic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 3-amino-2,4,6-triiodobenzoate Traditional Name: 3-amino-2,4,6-triiodo-benzoic acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C17H14I3N3O6 MolecularWeight: 737.02297

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=C(C(=C(C=C2I)I)N)I)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=C(C(=C(C=C2I)I)N)I)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H14I3N3O6/c1-7-3-11(23(26)27)12(28-2)5-10(7)22-13(24)6-29-17(25)14-8(18)4-9(19)16(21)15(14)20/h3-5H,6,21H2,1-2H3,(H,22,24)