N-[4-methyl-4-(2-methylpropyl)-8-nitro-1,3-bis(oxidanylidene)isoquinolin-7-yl]ethanamide

Systemtic Name: N-[4-methyl-4-(2-methylpropyl)-8-nitro-1,3-bis(oxidanylidene)isoquinolin-7-yl]ethanamide Openeye Name: N-(4-isobutyl-4-methyl-8-nitro-1,3-dioxo-7-isoquinolyl)acetamide CAS Name: N-[4-methyl-4-(2-methylpropyl)-8-nitro-1,3-dioxo-7-isoquinolinyl]acetamide IUPAC Name: N-[4-methyl-4-(2-methylpropyl)-8-nitro-1,3-dioxoisoquinolin-7-yl]acetamide Traditional Name: N-(4-isobutyl-1,3-diketo-4-methyl-8-nitro-7-isoquinolyl)acetamide Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5/c1-8(2)7-16(4)10-5-6-11(17-9(3)20)13(19(23)24)12(10)14(21)18-15(16)22/h5-6,8H,7H2,1-4H3,(H,17,20)(H,18,21,22)