2-(2-methyl-3-oxidanylidene-prop-2-enyl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(2-methyl-3-oxidanylidene-prop-2-enyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(2-methyl-3-oxo-allyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(2-methyl-3-oxoprop-2-enyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(2-methyl-3-oxoprop-2-enyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(3-keto-2-methyl-allyl)-5-nitro-isoindoline-1,3-quinone Formula: C12H8N2O5 MolecularWeight: 260.20232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C=O)CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=C=O)CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H8N2O5/c1-7(6-15)5-13-11(16)9-3-2-8(14(18)19)4-10(9)12(13)17/h2-4H,5H2,1H3