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

Systemtic Name: 4-[[5-(4-chloranyl-2-nitro-phenyl)-2-methyl-furan-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[[5-(4-chloro-2-nitro-phenyl)-2-methyl-furan-3-carbonyl]amino]benzoic acid CAS Name: 4-[[[5-(4-chloro-2-nitrophenyl)-2-methyl-3-furanyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[5-(4-chloro-2-nitrophenyl)-2-methylfuran-3-carbonyl]amino]benzoic acid Traditional Name: 4-[[5-(4-chloro-2-nitro-phenyl)-2-methyl-3-furoyl]amino]benzoic acid Formula: C19H13ClN2O6 MolecularWeight: 400.76932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H13ClN2O6/c1-10-15(18(23)21-13-5-2-11(3-6-13)19(24)25)9-17(28-10)14-7-4-12(20)8-16(14)22(26)27/h2-9H,1H3,(H,21,23)(H,24,25)