3-(4-methoxy-3-propan-2-yloxy-phenyl)-4-nitro-butanoic acid

Systemtic Name: 3-(4-methoxy-3-propan-2-yloxy-phenyl)-4-nitro-butanoic acid Openeye Name: 3-(3-isopropoxy-4-methoxy-phenyl)-4-nitro-butanoic acid CAS Name: 3-(4-methoxy-3-propan-2-yloxyphenyl)-4-nitrobutanoic acid IUPAC Name: 3-(4-methoxy-3-propan-2-yloxyphenyl)-4-nitrobutanoic acid Traditional Name: 3-(3-isopropoxy-4-methoxy-phenyl)-4-nitro-butyric acid Formula: C14H19NO6 MolecularWeight: 297.30376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO6/c1-9(2)21-13-6-10(4-5-12(13)20-3)11(7-14(16)17)8-15(18)19/h4-6,9,11H,7-8H2,1-3H3,(H,16,17)