(E)-2-benzamido-3-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[5-(2-chloro-4-nitro-phenyl)-2-furyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[5-(2-chloro-4-nitrophenyl)-2-furanyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[5-(2-chloro-4-nitro-phenyl)-2-furyl]acrylic acid Formula: C20H13ClN2O6 MolecularWeight: 412.78002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(O2)C3=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=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)/C(=O)O

InChI

InChI=1S/C20H13ClN2O6/c21-16-10-13(23(27)28)6-8-15(16)18-9-7-14(29-18)11-17(20(25)26)22-19(24)12-4-2-1-3-5-12/h1-11H,(H,22,24)(H,25,26)/b17-11+