N-[3-chloranyl-2-(3-nitrophenyl)-4-oxidanylidene-azetidin-1-yl]-2-(5-methyl-4-nitroso-2-propan-2-yl-phenoxy)ethanamide

Systemtic Name: N-[3-chloranyl-2-(3-nitrophenyl)-4-oxidanylidene-azetidin-1-yl]-2-(5-methyl-4-nitroso-2-propan-2-yl-phenoxy)ethanamide Openeye Name: N-[3-chloro-2-(3-nitrophenyl)-4-oxo-azetidin-1-yl]-2-(2-isopropyl-5-methyl-4-nitroso-phenoxy)acetamide CAS Name: N-[3-chloro-2-(3-nitrophenyl)-4-oxo-1-azetidinyl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide IUPAC Name: N-[3-chloro-2-(3-nitrophenyl)-4-oxoazetidin-1-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide Traditional Name: N-[3-chloro-2-keto-4-(3-nitrophenyl)azetidin-1-yl]-2-(2-isopropyl-5-methyl-4-nitroso-phenoxy)acetamide Formula: C21H21ClN4O6 MolecularWeight: 460.86764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OCC(=O)NN2C(C(C2=O)Cl)C3=CC(=CC=C3)[N+](=O)[O-])C(C)C)N=O

Isomeric SMILES

CC1=C(C=C(C(=C1)OCC(=O)NN2C(C(C2=O)Cl)C3=CC(=CC=C3)[N+](=O)[O-])C(C)C)N=O

InChI

InChI=1S/C21H21ClN4O6/c1-11(2)15-9-16(24-29)12(3)7-17(15)32-10-18(27)23-25-20(19(22)21(25)28)13-5-4-6-14(8-13)26(30)31/h4-9,11,19-20H,10H2,1-3H3,(H,23,27)