(5-methoxy-2-nitro-4-pentoxy-phenyl)methanamine

Systemtic Name: (5-methoxy-2-nitro-4-pentoxy-phenyl)methanamine Openeye Name: (5-methoxy-2-nitro-4-pentoxy-phenyl)methanamine CAS Name: (5-methoxy-2-nitro-4-pentoxyphenyl)methanamine IUPAC Name: (5-methoxy-2-nitro-4-pentoxyphenyl)methanamine Traditional Name: (4-amoxy-5-methoxy-2-nitro-benzyl)amine Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])CN)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])CN)OC

InChI

InChI=1S/C13H20N2O4/c1-3-4-5-6-19-13-8-11(15(16)17)10(9-14)7-12(13)18-2/h7-8H,3-6,9,14H2,1-2H3