N-methyl-4-methylsulfonyl-2-nitro-N-[(4-prop-2-enoxyphenyl)methyl]aniline

Systemtic Name: N-methyl-4-methylsulfonyl-2-nitro-N-[(4-prop-2-enoxyphenyl)methyl]aniline Openeye Name: N-[(4-allyloxyphenyl)methyl]-N-methyl-4-methylsulfonyl-2-nitro-aniline CAS Name: N-methyl-4-methylsulfonyl-2-nitro-N-[(4-prop-2-enoxyphenyl)methyl]aniline IUPAC Name: N-methyl-4-methylsulfonyl-2-nitro-N-[(4-prop-2-enoxyphenyl)methyl]aniline Traditional Name: (4-allyloxybenzyl)-(4-mesyl-2-nitro-phenyl)-methyl-amine Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S/c1-4-11-25-15-7-5-14(6-8-15)13-19(2)17-10-9-16(26(3,23)24)12-18(17)20(21)22/h4-10,12H,1,11,13H2,2-3H3