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

Systemtic Name: 3-methyl-5-[[5-(4-methyl-2-nitro-phenyl)furan-2-yl]carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-3-methyl-5-[[5-(4-methyl-2-nitro-phenyl)furan-2-carbonyl]amino]benzoic acid CAS Name: 2-hydroxy-3-methyl-5-[[[5-(4-methyl-2-nitrophenyl)-2-furanyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-3-methyl-5-[[5-(4-methyl-2-nitrophenyl)furan-2-carbonyl]amino]benzoic acid Traditional Name: 2-hydroxy-3-methyl-5-[[5-(4-methyl-2-nitro-phenyl)-2-furoyl]amino]benzoic acid Formula: C20H16N2O7 MolecularWeight: 396.35024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)NC3=CC(=C(C(=C3)C(=O)O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)NC3=CC(=C(C(=C3)C(=O)O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O7/c1-10-3-4-13(15(7-10)22(27)28)16-5-6-17(29-16)19(24)21-12-8-11(2)18(23)14(9-12)20(25)26/h3-9,23H,1-2H3,(H,21,24)(H,25,26)