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

Systemtic Name: 2-chloranyl-5-nitro-benzoic acid; 3-ethyl-2-propyl-quinolin-4-amine Openeye Name: 2-chloro-5-nitro-benzoic acid; 3-ethyl-2-propyl-quinolin-4-amine CAS Name: 2-chloro-5-nitrobenzoic acid; 3-ethyl-2-propyl-4-quinolinamine IUPAC Name: 2-chloro-5-nitrobenzoic acid; 3-ethyl-2-propylquinolin-4-amine Traditional Name: 2-chloro-5-nitro-benzoic acid; (3-ethyl-2-propyl-4-quinolyl)amine Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C14H18N2.C7H4ClNO4/c1-3-7-12-10(4-2)14(15)11-8-5-6-9-13(11)16-12;8-6-2-1-4(9(12)13)3-5(6)7(10)11/h5-6,8-9H,3-4,7H2,1-2H3,(H2,15,16);1-3H,(H,10,11)