1-butyl-3-nitro-benzene; 2-phenylethanamine

Systemtic Name: 1-butyl-3-nitro-benzene; 2-phenylethanamine Openeye Name: 1-butyl-3-nitro-benzene; 2-phenylethanamine CAS Name: 1-butyl-3-nitrobenzene; 2-phenylethanamine IUPAC Name: 1-butyl-3-nitrobenzene; 2-phenylethanamine Traditional Name: 1-butyl-3-nitro-benzene; phenethylamine Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO2.C8H11N/c1-2-3-5-9-6-4-7-10(8-9)11(12)13;9-7-6-8-4-2-1-3-5-8/h4,6-8H,2-3,5H2,1H3;1-5H,6-7,9H2