3-[[3-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[5-(2-chloro-4-nitrophenyl)-2-furanyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C21H12ClN3O6 MolecularWeight: 437.78948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12ClN3O6/c22-18-10-15(25(29)30)4-6-17(18)19-7-5-16(31-19)9-13(11-23)20(26)24-14-3-1-2-12(8-14)21(27)28/h1-10H,(H,24,26)(H,27,28)