2-[4-(1-hydroxyethyl)-2-methoxy-5-nitro-phenoxy]butanoic acid

Systemtic Name: 2-[4-(1-hydroxyethyl)-2-methoxy-5-nitro-phenoxy]butanoic acid Openeye Name: 2-[4-(1-hydroxyethyl)-2-methoxy-5-nitro-phenoxy]butanoic acid CAS Name: 2-[4-(1-hydroxyethyl)-2-methoxy-5-nitrophenoxy]butanoic acid IUPAC Name: 2-[4-(1-hydroxyethyl)-2-methoxy-5-nitrophenoxy]butanoic acid Traditional Name: 2-[4-(1-hydroxyethyl)-2-methoxy-5-nitro-phenoxy]butyric acid Formula: C13H17NO7 MolecularWeight: 299.27658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=C(C=C(C(=C1)[N+](=O)[O-])C(C)O)OC

Isomeric SMILES

CCC(C(=O)O)OC1=C(C=C(C(=C1)[N+](=O)[O-])C(C)O)OC

InChI

InChI=1S/C13H17NO7/c1-4-10(13(16)17)21-12-6-9(14(18)19)8(7(2)15)5-11(12)20-3/h5-7,10,15H,4H2,1-3H3,(H,16,17)