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

Systemtic Name: 3-[[3-[5-(4-chloranyl-3-nitro-phenyl)furan-2-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[5-(4-chloro-3-nitro-phenyl)-2-furyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[5-(4-chloro-3-nitrophenyl)-2-furanyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[5-(4-chloro-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-])C#N)C(=O)O

Isomeric SMILES

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

InChI

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