N-methyl-N-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-1-(4-prop-2-enoxyphenyl)methanamine

Systemtic Name: N-methyl-N-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-1-(4-prop-2-enoxyphenyl)methanamine Openeye Name: 1-(4-allyloxyphenyl)-N-methyl-N-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]methanamine CAS Name: N-methyl-N-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-1-(4-prop-2-enoxyphenyl)methanamine IUPAC Name: N-methyl-N-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-1-(4-prop-2-enoxyphenyl)methanamine Traditional Name: (4-allyloxybenzyl)-methyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]amine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OCC=C)CN2C=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)OCC=C)CN2C=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-3-12-28-19-10-4-16(5-11-19)13-23(2)15-24-14-21-20(22-24)17-6-8-18(9-7-17)25(26)27/h3-11,14H,1,12-13,15H2,2H3