2-tert-butyl-6-nitro-quinoline-4-carboxylic acid

Systemtic Name: 2-tert-butyl-6-nitro-quinoline-4-carboxylic acid Openeye Name: 2-tert-butyl-6-nitro-quinoline-4-carboxylic acid CAS Name: 2-tert-butyl-6-nitro-4-quinolinecarboxylic acid IUPAC Name: 2-tert-butyl-6-nitroquinoline-4-carboxylic acid Traditional Name: 2-tert-butyl-6-nitro-cinchoninic acid Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=C1)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=C1)C(=O)O

InChI

InChI=1S/C14H14N2O4/c1-14(2,3)12-7-10(13(17)18)9-6-8(16(19)20)4-5-11(9)15-12/h4-7H,1-3H3,(H,17,18)