3-ethoxy-2-methyl-2-[(2-nitrophenyl)methyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-ethoxy-2-methyl-2-[(2-nitrophenyl)methyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-ethoxy-2-methyl-2-[(2-nitrophenyl)methyl]-3-oxo-propanoic acid CAS Name: 3-ethoxy-2-methyl-2-[(2-nitrophenyl)methyl]-3-oxopropanoic acid IUPAC Name: 3-ethoxy-2-methyl-2-[(2-nitrophenyl)methyl]-3-oxopropanoic acid Traditional Name: 3-ethoxy-3-keto-2-methyl-2-(2-nitrobenzyl)propionic acid Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CC1=CC=CC=C1[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(=O)C(C)(CC1=CC=CC=C1[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H15NO6/c1-3-20-12(17)13(2,11(15)16)8-9-6-4-5-7-10(9)14(18)19/h4-7H,3,8H2,1-2H3,(H,15,16)