6-nitro-2-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 6-nitro-2-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 2-isopropyl-6-nitro-quinoline-4-carboxylic acid CAS Name: 6-nitro-2-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 6-nitro-2-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 2-isopropyl-6-nitro-cinchoninic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4/c1-7(2)12-6-10(13(16)17)9-5-8(15(18)19)3-4-11(9)14-12/h3-7H,1-2H3,(H,16,17)