4-(2-azanylethyl)aniline; 1-nitro-3-pentyl-benzene

Systemtic Name: 4-(2-azanylethyl)aniline; 1-nitro-3-pentyl-benzene Openeye Name: 4-(2-aminoethyl)aniline; 1-nitro-3-pentyl-benzene CAS Name: 4-(2-aminoethyl)aniline; 1-nitro-3-pentylbenzene IUPAC Name: 4-(2-aminoethyl)aniline; 1-nitro-3-pentylbenzene Traditional Name: [4-(2-aminoethyl)phenyl]amine; 1-amyl-3-nitro-benzene Formula: C19H27N3O2 MolecularWeight: 329.43658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC=C1)[N+](=O)[O-].C1=CC(=CC=C1CCN)N

Isomeric SMILES

CCCCCC1=CC(=CC=C1)[N+](=O)[O-].C1=CC(=CC=C1CCN)N

InChI

InChI=1S/C11H15NO2.C8H12N2/c1-2-3-4-6-10-7-5-8-11(9-10)12(13)14;9-6-5-7-1-3-8(10)4-2-7/h5,7-9H,2-4,6H2,1H3;1-4H,5-6,9-10H2