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

Systemtic Name: 3-chloranyl-4-methoxy-5-[[5-(4-methyl-2-nitro-phenyl)furan-2-yl]carbonylamino]benzoic acid Openeye Name: 3-chloro-4-methoxy-5-[[5-(4-methyl-2-nitro-phenyl)furan-2-carbonyl]amino]benzoic acid CAS Name: 3-chloro-4-methoxy-5-[[[5-(4-methyl-2-nitrophenyl)-2-furanyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-chloro-4-methoxy-5-[[5-(4-methyl-2-nitrophenyl)furan-2-carbonyl]amino]benzoic acid Traditional Name: 3-chloro-4-methoxy-5-[[5-(4-methyl-2-nitro-phenyl)-2-furoyl]amino]benzoic acid Formula: C20H15ClN2O7 MolecularWeight: 430.7953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C20H15ClN2O7/c1-10-3-4-12(15(7-10)23(27)28)16-5-6-17(30-16)19(24)22-14-9-11(20(25)26)8-13(21)18(14)29-2/h3-9H,1-2H3,(H,22,24)(H,25,26)