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

Systemtic Name: (4-butoxy-5-methoxy-2-nitro-phenyl)methanamine Openeye Name: (4-butoxy-5-methoxy-2-nitro-phenyl)methanamine CAS Name: (4-butoxy-5-methoxy-2-nitrophenyl)methanamine IUPAC Name: (4-butoxy-5-methoxy-2-nitrophenyl)methanamine Traditional Name: (4-butoxy-5-methoxy-2-nitro-benzyl)amine Formula: C12H18N2O4 MolecularWeight: 254.28232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])CN)OC

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])CN)OC

InChI

InChI=1S/C12H18N2O4/c1-3-4-5-18-12-7-10(14(15)16)9(8-13)6-11(12)17-2/h6-7H,3-5,8,13H2,1-2H3