2-[2-(1,3-benzodioxol-5-yl)-1-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-azetidin-3-yl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-azetidin-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methoxy-phenyl)-4-oxo-azetidin-3-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methoxyphenyl)-4-oxo-3-azetidinyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methoxyphenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methoxy-phenyl)-4-keto-azetidin-3-yl]-4-nitro-isoindoline-1,3-quinone Formula: C25H16ClN3O8 MolecularWeight: 521.86284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC6=C(C=C5)OCO6)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC6=C(C=C5)OCO6)Cl

InChI

InChI=1S/C25H16ClN3O8/c1-35-17-8-6-13(10-15(17)26)27-21(12-5-7-18-19(9-12)37-11-36-18)22(25(27)32)28-23(30)14-3-2-4-16(29(33)34)20(14)24(28)31/h2-10,21-22H,11H2,1H3