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

Systemtic Name: N-[4,4-dimethyl-8-nitro-1,3-bis(oxidanylidene)isoquinolin-7-yl]cyclopropanecarboxamide Openeye Name: N-(4,4-dimethyl-8-nitro-1,3-dioxo-7-isoquinolyl)cyclopropanecarboxamide CAS Name: N-(4,4-dimethyl-8-nitro-1,3-dioxo-7-isoquinolinyl)cyclopropanecarboxamide IUPAC Name: N-(4,4-dimethyl-8-nitro-1,3-dioxoisoquinolin-7-yl)cyclopropanecarboxamide Traditional Name: N-(1,3-diketo-4,4-dimethyl-8-nitro-7-isoquinolyl)cyclopropanecarboxamide Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=C(C=C2)NC(=O)C3CC3)[N+](=O)[O-])C(=O)NC1=O)C

Isomeric SMILES

CC1(C2=C(C(=C(C=C2)NC(=O)C3CC3)[N+](=O)[O-])C(=O)NC1=O)C

InChI

InChI=1S/C15H15N3O5/c1-15(2)8-5-6-9(16-12(19)7-3-4-7)11(18(22)23)10(8)13(20)17-14(15)21/h5-7H,3-4H2,1-2H3,(H,16,19)(H,17,20,21)