3-chloranyl-4-methoxy-5-[[5-(4-methoxy-2-nitro-phenyl)furan-2-yl]carbonylamino]benzoic acid

Systemtic Name: 3-chloranyl-4-methoxy-5-[[5-(4-methoxy-2-nitro-phenyl)furan-2-yl]carbonylamino]benzoic acid Openeye Name: 3-chloro-4-methoxy-5-[[5-(4-methoxy-2-nitro-phenyl)furan-2-carbonyl]amino]benzoic acid CAS Name: 3-chloro-4-methoxy-5-[[[5-(4-methoxy-2-nitrophenyl)-2-furanyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-chloro-4-methoxy-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl]amino]benzoic acid Traditional Name: 3-chloro-4-methoxy-5-[[5-(4-methoxy-2-nitro-phenyl)-2-furoyl]amino]benzoic acid Formula: C20H15ClN2O8 MolecularWeight: 446.7947

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)NC3=C(C(=CC(=C3)C(=O)O)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)NC3=C(C(=CC(=C3)C(=O)O)Cl)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN2O8/c1-29-11-3-4-12(15(9-11)23(27)28)16-5-6-17(31-16)19(24)22-14-8-10(20(25)26)7-13(21)18(14)30-2/h3-9H,1-2H3,(H,22,24)(H,25,26)