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

Systemtic Name: 5-[[5-(4-methoxy-2-nitro-phenyl)furan-2-yl]carbonylamino]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[5-(4-methoxy-2-nitro-phenyl)furan-2-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 2-hydroxy-5-[[[5-(4-methoxy-2-nitrophenyl)-2-furanyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 2-hydroxy-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 2-hydroxy-5-[[5-(4-methoxy-2-nitro-phenyl)-2-furoyl]amino]-3-methyl-benzoic acid Formula: C20H16N2O8 MolecularWeight: 412.34964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O8/c1-10-7-11(8-14(18(10)23)20(25)26)21-19(24)17-6-5-16(30-17)13-4-3-12(29-2)9-15(13)22(27)28/h3-9,23H,1-2H3,(H,21,24)(H,25,26)