(E)-2-methyl-4-nitro-2-(phenoxymethyl)but-3-enoic acid

Systemtic Name: (E)-2-methyl-4-nitro-2-(phenoxymethyl)but-3-enoic acid Openeye Name: (E)-2-methyl-4-nitro-2-(phenoxymethyl)but-3-enoic acid CAS Name: (E)-2-methyl-4-nitro-2-(phenoxymethyl)-3-butenoic acid IUPAC Name: (E)-2-methyl-4-nitro-2-(phenoxymethyl)but-3-enoic acid Traditional Name: (E)-2-methyl-4-nitro-2-(phenoxymethyl)but-3-enoic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1)(C=C[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(COC1=CC=CC=C1)(/C=C/[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H13NO5/c1-12(11(14)15,7-8-13(16)17)9-18-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,14,15)/b8-7+