4,4-diethyl-7-nitro-isoquinoline-1,3-dione

Systemtic Name: 4,4-diethyl-7-nitro-isoquinoline-1,3-dione Openeye Name: 4,4-diethyl-7-nitro-isoquinoline-1,3-dione CAS Name: 4,4-diethyl-7-nitroisoquinoline-1,3-dione IUPAC Name: 4,4-diethyl-7-nitroisoquinoline-1,3-dione Traditional Name: 4,4-diethyl-7-nitro-isoquinoline-1,3-quinone Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC1=O)CC

Isomeric SMILES

CCC1(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC1=O)CC

InChI

InChI=1S/C13H14N2O4/c1-3-13(4-2)10-6-5-8(15(18)19)7-9(10)11(16)14-12(13)17/h5-7H,3-4H2,1-2H3,(H,14,16,17)