4-butyl-2-nitro-1-phenylmethoxy-benzene; 2-phenylethanamine

Systemtic Name: 4-butyl-2-nitro-1-phenylmethoxy-benzene; 2-phenylethanamine Openeye Name: 1-benzyloxy-4-butyl-2-nitro-benzene; 2-phenylethanamine CAS Name: 4-butyl-2-nitro-1-phenylmethoxybenzene; 2-phenylethanamine IUPAC Name: 4-butyl-2-nitro-1-phenylmethoxybenzene; 2-phenylethanamine Traditional Name: 1-benzoxy-4-butyl-2-nitro-benzene; phenethylamine Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-].C1=CC=C(C=C1)CCN

Isomeric SMILES

CCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-].C1=CC=C(C=C1)CCN

InChI

InChI=1S/C17H19NO3.C8H11N/c1-2-3-7-14-10-11-17(16(12-14)18(19)20)21-13-15-8-5-4-6-9-15;9-7-6-8-4-2-1-3-5-8/h4-6,8-12H,2-3,7,13H2,1H3;1-5H,6-7,9H2