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

Systemtic Name: 4-(2-azanylethyl)aniline; 2-nitro-4-pentyl-1-phenylmethoxy-benzene Openeye Name: 4-(2-aminoethyl)aniline; 1-benzyloxy-2-nitro-4-pentyl-benzene CAS Name: 4-(2-aminoethyl)aniline; 2-nitro-4-pentyl-1-phenylmethoxybenzene IUPAC Name: 4-(2-aminoethyl)aniline; 2-nitro-4-pentyl-1-phenylmethoxybenzene Traditional Name: [4-(2-aminoethyl)phenyl]amine; 4-amyl-1-benzoxy-2-nitro-benzene Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-].C1=CC(=CC=C1CCN)N

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-].C1=CC(=CC=C1CCN)N

InChI

InChI=1S/C18H21NO3.C8H12N2/c1-2-3-5-8-15-11-12-18(17(13-15)19(20)21)22-14-16-9-6-4-7-10-16;9-6-5-7-1-3-8(10)4-2-7/h4,6-7,9-13H,2-3,5,8,14H2,1H3;1-4H,5-6,9-10H2