N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-veratryl-amine Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OC

InChI

InChI=1S/C16H18N2O6S/c1-23-15-7-4-11(8-16(15)24-2)10-17-13-6-5-12(25(3,21)22)9-14(13)18(19)20/h4-9,17H,10H2,1-3H3