chloranylbenzene; 4-(4-ethyl-2-methyl-phenyl)-4-nitro-butanoic acid

Systemtic Name: chloranylbenzene; 4-(4-ethyl-2-methyl-phenyl)-4-nitro-butanoic acid Openeye Name: chlorobenzene; 4-(4-ethyl-2-methyl-phenyl)-4-nitro-butanoic acid CAS Name: chlorobenzene; 4-(4-ethyl-2-methylphenyl)-4-nitrobutanoic acid IUPAC Name: chlorobenzene; 4-(4-ethyl-2-methylphenyl)-4-nitrobutanoic acid Traditional Name: chlorobenzene; 4-(4-ethyl-2-methyl-phenyl)-4-nitro-butyric acid Formula: C19H22ClNO4 MolecularWeight: 363.83528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C(CCC(=O)O)[N+](=O)[O-])C.C1=CC=C(C=C1)Cl

Isomeric SMILES

CCC1=CC(=C(C=C1)C(CCC(=O)O)[N+](=O)[O-])C.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H17NO4.C6H5Cl/c1-3-10-4-5-11(9(2)8-10)12(14(17)18)6-7-13(15)16;7-6-4-2-1-3-5-6/h4-5,8,12H,3,6-7H2,1-2H3,(H,15,16);1-5H