4-[[(E)-[(2S)-2-hexoxy-6-nitro-4-oxidanylidene-chromen-3-ylidene]methyl]amino]-2-oxidanyl-benzoate

Systemtic Name: 4-[[(E)-[(2S)-2-hexoxy-6-nitro-4-oxidanylidene-chromen-3-ylidene]methyl]amino]-2-oxidanyl-benzoate Openeye Name: 4-[[(E)-[(2S)-2-hexoxy-6-nitro-4-oxo-chroman-3-ylidene]methyl]amino]-2-hydroxy-benzoate CAS Name: 4-[[(E)-[(2S)-2-hexoxy-6-nitro-4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl]amino]-2-hydroxybenzoate IUPAC Name: 4-[[(E)-[(2S)-2-hexoxy-6-nitro-4-oxochromen-3-ylidene]methyl]amino]-2-hydroxybenzoate Traditional Name: 4-[[(E)-[(2S)-2-hexoxy-4-keto-6-nitro-chroman-3-ylidene]methyl]amino]-2-hydroxy-benzoate Formula: C23H23N2O8- MolecularWeight: 455.43732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1C(=CNC2=CC(=C(C=C2)C(=O)[O-])O)C(=O)C3=C(O1)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCO[C@@H]1/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/C23H24N2O8/c1-2-3-4-5-10-32-23-18(13-24-14-6-8-16(22(28)29)19(26)11-14)21(27)17-12-15(25(30)31)7-9-20(17)33-23/h6-9,11-13,23-24,26H,2-5,10H2,1H3,(H,28,29)/p-1/b18-13-/t23-/m0/s1