3-[3-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-2-oxidanylidene-azetidin-1-yl]-5-bromanyl-benzoic acid

Systemtic Name: 3-[3-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-2-oxidanylidene-azetidin-1-yl]-5-bromanyl-benzoic acid Openeye Name: 3-bromo-5-[3-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-2-oxo-azetidin-1-yl]benzoic acid CAS Name: 3-bromo-5-[3-[[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)-oxomethyl]amino]-2-oxo-1-azetidinyl]benzoic acid IUPAC Name: 3-bromo-5-[3-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-2-oxoazetidin-1-yl]benzoic acid Traditional Name: 3-bromo-5-[3-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-2-keto-azetidin-1-yl]benzoic acid Formula: C16H12BrCl2N3O4 MolecularWeight: 461.09418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C(=O)NC2CN(C2=O)C3=CC(=CC(=C3)C(=O)O)Br)Cl)Cl

Isomeric SMILES

CC1=C(C(=C(N1)C(=O)NC2CN(C2=O)C3=CC(=CC(=C3)C(=O)O)Br)Cl)Cl

InChI

InChI=1S/C16H12BrCl2N3O4/c1-6-11(18)12(19)13(20-6)14(23)21-10-5-22(15(10)24)9-3-7(16(25)26)2-8(17)4-9/h2-4,10,20H,5H2,1H3,(H,21,23)(H,25,26)