2-[4-[(E)-3-(2-chloranyl-5-nitro-phenyl)prop-2-enoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-3-(2-chloranyl-5-nitro-phenyl)prop-2-enoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-3-(2-chloro-5-nitro-phenyl)prop-2-enoyl]phenoxy]acetic acid CAS Name: 2-[4-[(E)-3-(2-chloro-5-nitrophenyl)-1-oxoprop-2-enyl]phenoxy]acetic acid IUPAC Name: 2-[4-[(E)-3-(2-chloro-5-nitrophenyl)prop-2-enoyl]phenoxy]acetic acid Traditional Name: 2-[4-[(E)-3-(2-chloro-5-nitro-phenyl)acryloyl]phenoxy]acetic acid Formula: C17H12ClNO6 MolecularWeight: 361.73328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)OCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)/C=C/C2=C(C=CC(=C2)[N+](=O)[O-])Cl)OCC(=O)O

InChI

InChI=1S/C17H12ClNO6/c18-15-7-4-13(19(23)24)9-12(15)3-8-16(20)11-1-5-14(6-2-11)25-10-17(21)22/h1-9H,10H2,(H,21,22)/b8-3+