1-[3-methyl-3-(4-methyl-2-nitro-phenoxy)-2-oxidanylidene-butyl]pyrrolidine-2,5-dione

Systemtic Name: 1-[3-methyl-3-(4-methyl-2-nitro-phenoxy)-2-oxidanylidene-butyl]pyrrolidine-2,5-dione Openeye Name: 1-[3-methyl-3-(4-methyl-2-nitro-phenoxy)-2-oxo-butyl]pyrrolidine-2,5-dione CAS Name: 1-[3-methyl-3-(4-methyl-2-nitrophenoxy)-2-oxobutyl]pyrrolidine-2,5-dione IUPAC Name: 1-[3-methyl-3-(4-methyl-2-nitrophenoxy)-2-oxobutyl]pyrrolidine-2,5-dione Traditional Name: 1-[2-keto-3-methyl-3-(4-methyl-2-nitro-phenoxy)butyl]pyrrolidine-2,5-quinone Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)(C)C(=O)CN2C(=O)CCC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC(C)(C)C(=O)CN2C(=O)CCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6/c1-10-4-5-12(11(8-10)18(22)23)24-16(2,3)13(19)9-17-14(20)6-7-15(17)21/h4-5,8H,6-7,9H2,1-3H3