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

Systemtic Name: 2-methoxy-5-[(4-nitrophenyl)methoxy]-4,5-bis(oxidanylidene)pentanoic acid Openeye Name: 2-methoxy-5-[(4-nitrophenyl)methoxy]-4,5-dioxo-pentanoic acid CAS Name: 2-methoxy-5-[(4-nitrophenyl)methoxy]-4,5-dioxopentanoic acid IUPAC Name: 2-methoxy-5-[(4-nitrophenyl)methoxy]-4,5-dioxopentanoic acid Traditional Name: 4,5-diketo-2-methoxy-5-(4-nitrobenzyl)oxy-valeric acid Formula: C13H13NO8 MolecularWeight: 311.24422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO8/c1-21-11(12(16)17)6-10(15)13(18)22-7-8-2-4-9(5-3-8)14(19)20/h2-5,11H,6-7H2,1H3,(H,16,17)