2-methyl-5-[(4-nitrophenyl)methoxy]-4,5-bis(oxidanylidene)pentanoic acid

Systemtic Name: 2-methyl-5-[(4-nitrophenyl)methoxy]-4,5-bis(oxidanylidene)pentanoic acid Openeye Name: 2-methyl-5-[(4-nitrophenyl)methoxy]-4,5-dioxo-pentanoic acid CAS Name: 2-methyl-5-[(4-nitrophenyl)methoxy]-4,5-dioxopentanoic acid IUPAC Name: 2-methyl-5-[(4-nitrophenyl)methoxy]-4,5-dioxopentanoic acid Traditional Name: 4,5-diketo-2-methyl-5-(4-nitrobenzyl)oxy-valeric acid Formula: C13H13NO7 MolecularWeight: 295.24482

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(CC(=O)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H13NO7/c1-8(12(16)17)6-11(15)13(18)21-7-9-2-4-10(5-3-9)14(19)20/h2-5,8H,6-7H2,1H3,(H,16,17)