1-(2-methyl-3-nitro-phenyl)pentan-3-amine

Systemtic Name: 1-(2-methyl-3-nitro-phenyl)pentan-3-amine Openeye Name: 1-(2-methyl-3-nitro-phenyl)pentan-3-amine CAS Name: 1-(2-methyl-3-nitrophenyl)-3-pentanamine IUPAC Name: 1-(2-methyl-3-nitrophenyl)pentan-3-amine Traditional Name: [1-ethyl-3-(2-methyl-3-nitro-phenyl)propyl]amine Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2/c1-3-11(13)8-7-10-5-4-6-12(9(10)2)14(15)16/h4-6,11H,3,7-8,13H2,1-2H3