4-[[(E)-(6-nitro-4-oxidanylidene-2-propan-2-yloxy-chromen-3-ylidene)methyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[(E)-(6-nitro-4-oxidanylidene-2-propan-2-yloxy-chromen-3-ylidene)methyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[[(E)-(2-isopropoxy-6-nitro-4-oxo-chroman-3-ylidene)methyl]amino]benzoic acid CAS Name: 2-hydroxy-4-[[(E)-(6-nitro-4-oxo-2-propan-2-yloxy-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[[(E)-(6-nitro-4-oxo-2-propan-2-yloxychromen-3-ylidene)methyl]amino]benzoic acid Traditional Name: 2-hydroxy-4-[[(E)-(2-isopropoxy-4-keto-6-nitro-chroman-3-ylidene)methyl]amino]benzoic acid Formula: C20H18N2O8 MolecularWeight: 414.36552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1C(=CNC2=CC(=C(C=C2)C(=O)O)O)C(=O)C3=C(O1)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1/C(=C\NC2=CC(=C(C=C2)C(=O)O)O)/C(=O)C3=C(O1)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O8/c1-10(2)29-20-15(9-21-11-3-5-13(19(25)26)16(23)7-11)18(24)14-8-12(22(27)28)4-6-17(14)30-20/h3-10,20-21,23H,1-2H3,(H,25,26)/b15-9-