2-cyclopropyl-5-[4-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-cyclopropyl-5-[4-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-cyclopropyl-5-[4-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]piperazin-1-yl]oxazole-4-carbonitrile CAS Name: 2-cyclopropyl-5-[4-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 2-cyclopropyl-5-[4-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-cyclopropyl-5-[4-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]piperazino]oxazole-4-carbonitrile Formula: C20H18N6O5 MolecularWeight: 422.39412

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(O2)N3CCN(CC3)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-])C#N

Isomeric SMILES

C1CC1C2=NC(=C(O2)N3CCN(CC3)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H18N6O5/c21-10-16-20(31-17(22-16)12-1-2-12)24-7-5-23(6-8-24)11-25-18(27)14-4-3-13(26(29)30)9-15(14)19(25)28/h3-4,9,12H,1-2,5-8,11H2