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

Systemtic Name: N-[4,4-dimethyl-8-nitro-1,3-bis(oxidanylidene)isoquinolin-7-yl]cyclohexanecarboxamide Openeye Name: N-(4,4-dimethyl-8-nitro-1,3-dioxo-7-isoquinolyl)cyclohexanecarboxamide CAS Name: N-(4,4-dimethyl-8-nitro-1,3-dioxo-7-isoquinolinyl)cyclohexanecarboxamide IUPAC Name: N-(4,4-dimethyl-8-nitro-1,3-dioxoisoquinolin-7-yl)cyclohexanecarboxamide Traditional Name: N-(1,3-diketo-4,4-dimethyl-8-nitro-7-isoquinolyl)cyclohexanecarboxamide Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=C(C=C2)NC(=O)C3CCCCC3)[N+](=O)[O-])C(=O)NC1=O)C

Isomeric SMILES

CC1(C2=C(C(=C(C=C2)NC(=O)C3CCCCC3)[N+](=O)[O-])C(=O)NC1=O)C

InChI

InChI=1S/C18H21N3O5/c1-18(2)11-8-9-12(19-15(22)10-6-4-3-5-7-10)14(21(25)26)13(11)16(23)20-17(18)24/h8-10H,3-7H2,1-2H3,(H,19,22)(H,20,23,24)