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

Systemtic Name: 5-[(4-nitrophenyl)methoxy]-4,5-bis(oxidanylidene)-2-(phenylmethyl)pentanoic acid Openeye Name: 2-benzyl-5-[(4-nitrophenyl)methoxy]-4,5-dioxo-pentanoic acid CAS Name: 5-[(4-nitrophenyl)methoxy]-4,5-dioxo-2-(phenylmethyl)pentanoic acid IUPAC Name: 2-benzyl-5-[(4-nitrophenyl)methoxy]-4,5-dioxopentanoic acid Traditional Name: 2-benzyl-4,5-diketo-5-(4-nitrobenzyl)oxy-valeric acid Formula: C19H17NO7 MolecularWeight: 371.34078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H17NO7/c21-17(11-15(18(22)23)10-13-4-2-1-3-5-13)19(24)27-12-14-6-8-16(9-7-14)20(25)26/h1-9,15H,10-12H2,(H,22,23)