2-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(3-methylisoxazol-5-yl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(3-methyl-5-isoxazolyl)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(3-methylisoxazol-5-yl)methyl]-4-nitro-isoindoline-1,3-quinone Formula: C13H9N3O5 MolecularWeight: 287.22766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O5/c1-7-5-8(21-14-7)6-15-12(17)9-3-2-4-10(16(19)20)11(9)13(15)18/h2-5H,6H2,1H3