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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN2O7/c1-29-16-5-2-11(8-14(16)20(25)26)10-22-19(24)18-7-6-17(30-18)13-4-3-12(23(27)28)9-15(13)21/h2-9H,10H2,1H3,(H,22,24)(H,25,26)