[5-nitro-2-(3-phenylpropoxy)phenyl]methanamine

Systemtic Name: [5-nitro-2-(3-phenylpropoxy)phenyl]methanamine Openeye Name: [5-nitro-2-(3-phenylpropoxy)phenyl]methanamine CAS Name: [5-nitro-2-(3-phenylpropoxy)phenyl]methanamine IUPAC Name: [5-nitro-2-(3-phenylpropoxy)phenyl]methanamine Traditional Name: [5-nitro-2-(3-phenylpropoxy)benzyl]amine Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=C(C=C(C=C2)[N+](=O)[O-])CN

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=C(C=C(C=C2)[N+](=O)[O-])CN

InChI

InChI=1S/C16H18N2O3/c17-12-14-11-15(18(19)20)8-9-16(14)21-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12,17H2