2-[2-methoxy-5-[(E)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enoyl]phenyl]ethanoic acid

Systemtic Name: 2-[2-methoxy-5-[(E)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enoyl]phenyl]ethanoic acid Openeye Name: 2-[5-[(E)-3-(4-isopropyl-3-nitro-phenyl)prop-2-enoyl]-2-methoxy-phenyl]acetic acid CAS Name: 2-[2-methoxy-5-[(E)-3-(3-nitro-4-propan-2-ylphenyl)-1-oxoprop-2-enyl]phenyl]acetic acid IUPAC Name: 2-[2-methoxy-5-[(E)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetic acid Traditional Name: 2-[5-[(E)-3-(4-isopropyl-3-nitro-phenyl)acryloyl]-2-methoxy-phenyl]acetic acid Formula: C21H21NO6 MolecularWeight: 383.39454

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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)OC)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6/c1-13(2)17-7-4-14(10-18(17)22(26)27)5-8-19(23)15-6-9-20(28-3)16(11-15)12-21(24)25/h4-11,13H,12H2,1-3H3,(H,24,25)/b8-5+