2-butyl-3-propyl-quinolin-4-amine; 2-chloranyl-5-nitro-benzoic acid

Systemtic Name: 2-butyl-3-propyl-quinolin-4-amine; 2-chloranyl-5-nitro-benzoic acid Openeye Name: 2-butyl-3-propyl-quinolin-4-amine; 2-chloro-5-nitro-benzoic acid CAS Name: 2-butyl-3-propyl-4-quinolinamine; 2-chloro-5-nitrobenzoic acid IUPAC Name: 2-butyl-3-propylquinolin-4-amine; 2-chloro-5-nitrobenzoic acid Traditional Name: (2-butyl-3-propyl-4-quinolyl)amine; 2-chloro-5-nitro-benzoic acid Formula: C23H26ClN3O4 MolecularWeight: 443.92324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=C1CCC)N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=C1CCC)N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C16H22N2.C7H4ClNO4/c1-3-5-10-14-12(8-4-2)16(17)13-9-6-7-11-15(13)18-14;8-6-2-1-4(9(12)13)3-5(6)7(10)11/h6-7,9,11H,3-5,8,10H2,1-2H3,(H2,17,18);1-3H,(H,10,11)