7-azanyl-4-methyl-4-(2-methylpropyl)-8-nitro-isoquinoline-1,3-dione

Systemtic Name: 7-azanyl-4-methyl-4-(2-methylpropyl)-8-nitro-isoquinoline-1,3-dione Openeye Name: 7-amino-4-isobutyl-4-methyl-8-nitro-isoquinoline-1,3-dione CAS Name: 7-amino-4-methyl-4-(2-methylpropyl)-8-nitroisoquinoline-1,3-dione IUPAC Name: 7-amino-4-methyl-4-(2-methylpropyl)-8-nitroisoquinoline-1,3-dione Traditional Name: 7-amino-4-isobutyl-4-methyl-8-nitro-isoquinoline-1,3-quinone Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4/c1-7(2)6-14(3)8-4-5-9(15)11(17(20)21)10(8)12(18)16-13(14)19/h4-5,7H,6,15H2,1-3H3,(H,16,18,19)