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

Systemtic Name: 4-[[(E)-[(2S)-2-butoxy-6-nitro-4-oxidanylidene-chromen-3-ylidene]methyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[(E)-[(2S)-2-butoxy-6-nitro-4-oxo-chroman-3-ylidene]methyl]amino]-2-hydroxy-benzoic acid CAS Name: 4-[[(E)-[(2S)-2-butoxy-6-nitro-4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[[(E)-[(2S)-2-butoxy-6-nitro-4-oxochromen-3-ylidene]methyl]amino]-2-hydroxybenzoic acid Traditional Name: 4-[[(E)-[(2S)-2-butoxy-4-keto-6-nitro-chroman-3-ylidene]methyl]amino]-2-hydroxy-benzoic acid Formula: C21H20N2O8 MolecularWeight: 428.3921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1C(=CNC2=CC(=C(C=C2)C(=O)O)O)C(=O)C3=C(O1)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCO[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/C21H20N2O8/c1-2-3-8-30-21-16(11-22-12-4-6-14(20(26)27)17(24)9-12)19(25)15-10-13(23(28)29)5-7-18(15)31-21/h4-7,9-11,21-22,24H,2-3,8H2,1H3,(H,26,27)/b16-11-/t21-/m0/s1