2-[3-chloranyl-4-(4-chloranylpyrazol-1-yl)phenyl]propanoate; 1-phenylethylazanium

Systemtic Name: 2-[3-chloranyl-4-(4-chloranylpyrazol-1-yl)phenyl]propanoate; 1-phenylethylazanium Openeye Name: 2-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]propanoate; 1-phenylethylammonium CAS Name: 2-[3-chloro-4-(4-chloro-1-pyrazolyl)phenyl]propanoate; 1-phenylethylammonium IUPAC Name: 2-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]propanoate; 1-phenylethylazanium Traditional Name: 2-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]propionate; 1-phenylethylammonium Formula: C20H21Cl2N3O2 MolecularWeight: 406.30564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH3+].CC(C1=CC(=C(C=C1)N2C=C(C=N2)Cl)Cl)C(=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)[NH3+].CC(C1=CC(=C(C=C1)N2C=C(C=N2)Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C12H10Cl2N2O2.C8H11N/c1-7(12(17)18)8-2-3-11(10(14)4-8)16-6-9(13)5-15-16;1-7(9)8-5-3-2-4-6-8/h2-7H,1H3,(H,17,18);2-7H,9H2,1H3