2-[2-methoxy-4-[(E)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methoxy-4-[(E)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-3-(4-isopropyl-3-nitro-phenyl)prop-2-enoyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[2-methoxy-4-[(E)-3-(3-nitro-4-propan-2-ylphenyl)-1-oxoprop-2-enyl]phenoxy]acetic acid IUPAC Name: 2-[2-methoxy-4-[(E)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enoyl]phenoxy]acetic acid Traditional Name: 2-[4-[(E)-3-(4-isopropyl-3-nitro-phenyl)acryloyl]-2-methoxy-phenoxy]acetic acid Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)OCC(=O)O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2)OCC(=O)O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H21NO7/c1-13(2)16-7-4-14(10-17(16)22(26)27)5-8-18(23)15-6-9-19(20(11-15)28-3)29-12-21(24)25/h4-11,13H,12H2,1-3H3,(H,24,25)/b8-5+