(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C21H15N3O7 MolecularWeight: 421.3597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O7/c1-12-15(22-19(31-12)13-6-3-2-4-7-13)11-30-17(25)10-23-20(26)14-8-5-9-16(24(28)29)18(14)21(23)27/h2-9H,10-11H2,1H3