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

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (1,3-diphenylpyrazol-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 (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-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 (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C26H18N4O6 MolecularWeight: 482.44432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H18N4O6/c31-22(15-28-25(32)20-12-7-13-21(30(34)35)23(20)26(28)33)36-16-18-14-29(19-10-5-2-6-11-19)27-24(18)17-8-3-1-4-9-17/h1-14H,15-16H2