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

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

Systemtic Name:2-[4-[(E)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enoyl]phenoxy]propanoic acid
Openeye Name:2-[4-[(E)-3-(4-isopropyl-3-nitro-phenyl)prop-2-enoyl]phenoxy]propanoic acid
CAS Name:2-[4-[(E)-3-(3-nitro-4-propan-2-ylphenyl)-1-oxoprop-2-enyl]phenoxy]propanoic acid
IUPAC Name:2-[4-[(E)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enoyl]phenoxy]propanoic acid
Traditional Name:2-[4-[(E)-3-(4-isopropyl-3-nitro-phenyl)acryloyl]phenoxy]propionic 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(C)C(=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(C)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C21H21NO6/c1-13(2)18-10-4-15(12-19(18)22(26)27)5-11-20(23)16-6-8-17(9-7-16)28-14(3)21(24)25/h4-14H,1-3H3,(H,24,25)/b11-5+


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