5-[2-(dihexylamino)-2-oxidanylidene-ethoxy]-2-nitro-benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-(dihexylamino)-2-oxidanylidene-ethoxy]-2-nitro-benzene-1,3-dicarboxylic acid Openeye Name: 5-[2-(dihexylamino)-2-oxo-ethoxy]-2-nitro-benzene-1,3-dicarboxylic acid CAS Name: 5-[2-(dihexylamino)-2-oxoethoxy]-2-nitrobenzene-1,3-dicarboxylic acid IUPAC Name: 5-[2-(dihexylamino)-2-oxoethoxy]-2-nitrobenzene-1,3-dicarboxylic acid Traditional Name: 5-[2-(dihexylamino)-2-keto-ethoxy]-2-nitro-isophthalic acid Formula: C22H32N2O8 MolecularWeight: 452.49808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=O)COC1=CC(=C(C(=C1)C(=O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCN(CCCCCC)C(=O)COC1=CC(=C(C(=C1)C(=O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H32N2O8/c1-3-5-7-9-11-23(12-10-8-6-4-2)19(25)15-32-16-13-17(21(26)27)20(24(30)31)18(14-16)22(28)29/h13-14H,3-12,15H2,1-2H3,(H,26,27)(H,28,29)