2,4,4-trimethyl-7-nitro-isoquinoline-1,3-dione

Systemtic Name: 2,4,4-trimethyl-7-nitro-isoquinoline-1,3-dione Openeye Name: 2,4,4-trimethyl-7-nitro-isoquinoline-1,3-dione CAS Name: 2,4,4-trimethyl-7-nitroisoquinoline-1,3-dione IUPAC Name: 2,4,4-trimethyl-7-nitroisoquinoline-1,3-dione Traditional Name: 2,4,4-trimethyl-7-nitro-isoquinoline-1,3-quinone Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)C)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)C)C

InChI

InChI=1S/C12H12N2O4/c1-12(2)9-5-4-7(14(17)18)6-8(9)10(15)13(3)11(12)16/h4-6H,1-3H3