7-[5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentoxy]-6-nitro-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 7-[5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentoxy]-6-nitro-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentoxy]-6-nitro-chromane-2-carboxylic acid CAS Name: 7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-6-nitro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-6-nitro-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentoxy]-6-nitro-chroman-2-carboxylic acid Formula: C26H31NO9 MolecularWeight: 501.52564

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCOC2=C(C=C3CCC(OC3=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCOC2=C(C=C3CCC(OC3=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C26H31NO9/c1-3-7-19-21(11-9-18(16(2)28)25(19)29)34-12-5-4-6-13-35-24-15-23-17(14-20(24)27(32)33)8-10-22(36-23)26(30)31/h9,11,14-15,22,29H,3-8,10,12-13H2,1-2H3,(H,30,31)