2-(6-bromanyl-5-methoxy-2-nitro-cyclohexa-2,4-dien-1-yl)-3-(2-methoxyethoxy)-2-methyl-propanoic acid

Systemtic Name: 2-(6-bromanyl-5-methoxy-2-nitro-cyclohexa-2,4-dien-1-yl)-3-(2-methoxyethoxy)-2-methyl-propanoic acid Openeye Name: 2-(6-bromo-5-methoxy-2-nitro-cyclohexa-2,4-dien-1-yl)-3-(2-methoxyethoxy)-2-methyl-propanoic acid CAS Name: 2-(6-bromo-5-methoxy-2-nitro-1-cyclohexa-2,4-dienyl)-3-(2-methoxyethoxy)-2-methylpropanoic acid IUPAC Name: 2-(6-bromo-5-methoxy-2-nitrocyclohexa-2,4-dien-1-yl)-3-(2-methoxyethoxy)-2-methylpropanoic acid Traditional Name: 2-(6-bromo-5-methoxy-2-nitro-cyclohexa-2,4-dien-1-yl)-3-(2-methoxyethoxy)-2-methyl-propionic acid Formula: C14H20BrNO7 MolecularWeight: 394.2151

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCCOC)(C1C(C(=CC=C1[N+](=O)[O-])OC)Br)C(=O)O

Isomeric SMILES

CC(COCCOC)(C1C(C(=CC=C1[N+](=O)[O-])OC)Br)C(=O)O

InChI

InChI=1S/C14H20BrNO7/c1-14(13(17)18,8-23-7-6-21-2)11-9(16(19)20)4-5-10(22-3)12(11)15/h4-5,11-12H,6-8H2,1-3H3,(H,17,18)