2-tert-butylquinolin-4-amine; 2-chloranyl-5-nitro-benzoic acid

Systemtic Name: 2-tert-butylquinolin-4-amine; 2-chloranyl-5-nitro-benzoic acid Openeye Name: 2-tert-butylquinolin-4-amine; 2-chloro-5-nitro-benzoic acid CAS Name: 2-tert-butyl-4-quinolinamine; 2-chloro-5-nitrobenzoic acid IUPAC Name: 2-tert-butylquinolin-4-amine; 2-chloro-5-nitrobenzoic acid Traditional Name: (2-tert-butyl-4-quinolyl)amine; 2-chloro-5-nitro-benzoic acid Formula: C20H20ClN3O4 MolecularWeight: 401.8435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC=CC=C2C(=C1)N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

CC(C)(C)C1=NC2=CC=CC=C2C(=C1)N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C13H16N2.C7H4ClNO4/c1-13(2,3)12-8-10(14)9-6-4-5-7-11(9)15-12;8-6-2-1-4(9(12)13)3-5(6)7(10)11/h4-8H,1-3H3,(H2,14,15);1-3H,(H,10,11)