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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H14N4O6 MolecularWeight: 406.34836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H14N4O6/c25-17(30-12-13-5-7-14(8-6-13)23-10-2-9-21-23)11-22-19(26)15-3-1-4-16(24(28)29)18(15)20(22)27/h1-10H,11-12H2