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

Systemtic Name: N-(3-methoxypropyl)-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-(3-methoxypropyl)-4-methylsulfonyl-2-nitro-aniline CAS Name: N-(3-methoxypropyl)-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-(3-methoxypropyl)-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-(3-methoxypropyl)amine Formula: C11H16N2O5S MolecularWeight: 288.32014

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COCCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H16N2O5S/c1-18-7-3-6-12-10-5-4-9(19(2,16)17)8-11(10)13(14)15/h4-5,8,12H,3,6-7H2,1-2H3