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

Systemtic Name: N-[4,4-dimethyl-8-nitro-1,3-bis(oxidanylidene)isoquinolin-7-yl]propanamide Openeye Name: N-(4,4-dimethyl-8-nitro-1,3-dioxo-7-isoquinolyl)propanamide CAS Name: N-(4,4-dimethyl-8-nitro-1,3-dioxo-7-isoquinolinyl)propanamide IUPAC Name: N-(4,4-dimethyl-8-nitro-1,3-dioxoisoquinolin-7-yl)propanamide Traditional Name: N-(1,3-diketo-4,4-dimethyl-8-nitro-7-isoquinolyl)propionamide Formula: C14H15N3O5 MolecularWeight: 305.286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C2=C(C=C1)C(C(=O)NC2=O)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=C(C2=C(C=C1)C(C(=O)NC2=O)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O5/c1-4-9(18)15-8-6-5-7-10(11(8)17(21)22)12(19)16-13(20)14(7,2)3/h5-6H,4H2,1-3H3,(H,15,18)(H,16,19,20)