N-(3-ethoxypropyl)-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-(3-ethoxypropyl)-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-(3-ethoxypropyl)-4-methylsulfonyl-2-nitro-aniline CAS Name: N-(3-ethoxypropyl)-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-(3-ethoxypropyl)-4-methylsulfonyl-2-nitroaniline Traditional Name: 3-ethoxypropyl-(4-mesyl-2-nitro-phenyl)amine Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOCCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O5S/c1-3-19-8-4-7-13-11-6-5-10(20(2,17)18)9-12(11)14(15)16/h5-6,9,13H,3-4,7-8H2,1-2H3