5-nitro-2,4-di(propan-2-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-nitro-2,4-di(propan-2-yl)benzene-1,3-dicarboxylic acid Openeye Name: 2,4-diisopropyl-5-nitro-benzene-1,3-dicarboxylic acid CAS Name: 5-nitro-2,4-di(propan-2-yl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-nitro-2,4-di(propan-2-yl)benzene-1,3-dicarboxylic acid Traditional Name: 2,4-diisopropyl-5-nitro-isophthalic acid Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(C=C1C(=O)O)[N+](=O)[O-])C(C)C)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=C(C=C1C(=O)O)[N+](=O)[O-])C(C)C)C(=O)O

InChI

InChI=1S/C14H17NO6/c1-6(2)10-8(13(16)17)5-9(15(20)21)11(7(3)4)12(10)14(18)19/h5-7H,1-4H3,(H,16,17)(H,18,19)