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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C14H11N3O5 MolecularWeight: 301.25424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O5/c1-7-12(8(2)22-15-7)6-16-13(18)10-4-3-9(17(20)21)5-11(10)14(16)19/h3-5H,6H2,1-2H3