N-[4,4-diethyl-8-nitro-1,3-bis(oxidanylidene)isoquinolin-7-yl]ethanamide

Systemtic Name: N-[4,4-diethyl-8-nitro-1,3-bis(oxidanylidene)isoquinolin-7-yl]ethanamide Openeye Name: N-(4,4-diethyl-8-nitro-1,3-dioxo-7-isoquinolyl)acetamide CAS Name: N-(4,4-diethyl-8-nitro-1,3-dioxo-7-isoquinolinyl)acetamide IUPAC Name: N-(4,4-diethyl-8-nitro-1,3-dioxoisoquinolin-7-yl)acetamide Traditional Name: N-(4,4-diethyl-1,3-diketo-8-nitro-7-isoquinolyl)acetamide Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5/c1-4-15(5-2)9-6-7-10(16-8(3)19)12(18(22)23)11(9)13(20)17-14(15)21/h6-7H,4-5H2,1-3H3,(H,16,19)(H,17,20,21)