(E)-2-benzamido-3-[3-(2-chloranyl-4-nitro-phenoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[3-(2-chloranyl-4-nitro-phenoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[3-(2-chloro-4-nitro-phenoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[3-(2-chloro-4-nitrophenoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[3-(2-chloro-4-nitrophenoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[3-(2-chloro-4-nitro-phenoxy)phenyl]acrylic acid Formula: C22H15ClN2O6 MolecularWeight: 438.8173

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=CC=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl)/C(=O)O

InChI

InChI=1S/C22H15ClN2O6/c23-18-13-16(25(29)30)9-10-20(18)31-17-8-4-5-14(11-17)12-19(22(27)28)24-21(26)15-6-2-1-3-7-15/h1-13H,(H,24,26)(H,27,28)/b19-12+