[3-[[3-acetamido-5-aminocarbonyl-2,4,6-tris(bromanyl)phenyl]carbonylamino]-3-acetyloxy-propyl] ethanoate

Systemtic Name: [3-[[3-acetamido-5-aminocarbonyl-2,4,6-tris(bromanyl)phenyl]carbonylamino]-3-acetyloxy-propyl] ethanoate Openeye Name: [3-[(3-acetamido-2,4,6-tribromo-5-carbamoyl-benzoyl)amino]-3-acetoxy-propyl] acetate CAS Name: acetic acid [3-[[(3-acetamido-2,4,6-tribromo-5-carbamoylphenyl)-oxomethyl]amino]-3-acetyloxypropyl] ester IUPAC Name: [3-[(3-acetamido-2,4,6-tribromo-5-carbamoylbenzoyl)amino]-3-acetyloxypropyl] acetate Traditional Name: acetic acid [3-[(3-acetamido-2,4,6-tribromo-5-carbamoyl-benzoyl)amino]-3-acetoxy-propyl] ester Formula: C17H18Br3N3O7 MolecularWeight: 616.05272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1Br)C(=O)NC(CCOC(=O)C)OC(=O)C)Br)C(=O)N)Br

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1Br)C(=O)NC(CCOC(=O)C)OC(=O)C)Br)C(=O)N)Br

InChI

InChI=1S/C17H18Br3N3O7/c1-6(24)22-15-13(19)10(16(21)27)12(18)11(14(15)20)17(28)23-9(30-8(3)26)4-5-29-7(2)25/h9H,4-5H2,1-3H3,(H2,21,27)(H,22,24)(H,23,28)