7-azanyl-4,4-diethyl-8-nitro-isoquinoline-1,3-dione

Systemtic Name: 7-azanyl-4,4-diethyl-8-nitro-isoquinoline-1,3-dione Openeye Name: 7-amino-4,4-diethyl-8-nitro-isoquinoline-1,3-dione CAS Name: 7-amino-4,4-diethyl-8-nitroisoquinoline-1,3-dione IUPAC Name: 7-amino-4,4-diethyl-8-nitroisoquinoline-1,3-dione Traditional Name: 7-amino-4,4-diethyl-8-nitro-isoquinoline-1,3-quinone Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4/c1-3-13(4-2)7-5-6-8(14)10(16(19)20)9(7)11(17)15-12(13)18/h5-6H,3-4,14H2,1-2H3,(H,15,17,18)