N-methyl-N-[(5-nitrothiophen-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine

Systemtic Name: N-methyl-N-[(5-nitrothiophen-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine Openeye Name: 1-(4-allyloxyphenyl)-N-methyl-N-[(5-nitro-3-thienyl)methyl]methanamine CAS Name: N-methyl-N-[(5-nitro-3-thiophenyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine IUPAC Name: N-methyl-N-[(5-nitrothiophen-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine Traditional Name: (4-allyloxybenzyl)-methyl-[(5-nitro-3-thienyl)methyl]amine Formula: C16H18N2O3S MolecularWeight: 318.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OCC=C)CC2=CSC(=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)OCC=C)CC2=CSC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O3S/c1-3-8-21-15-6-4-13(5-7-15)10-17(2)11-14-9-16(18(19)20)22-12-14/h3-7,9,12H,1,8,10-11H2,2H3