4-ethoxy-N-(3-methylsulfonylphenyl)-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-(3-methylsulfonylphenyl)-3-nitro-benzamide Openeye Name: 4-ethoxy-N-(3-methylsulfonylphenyl)-3-nitro-benzamide CAS Name: 4-ethoxy-N-(3-methylsulfonylphenyl)-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-(3-methylsulfonylphenyl)-3-nitrobenzamide Traditional Name: 4-ethoxy-N-(3-mesylphenyl)-3-nitro-benzamide Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S/c1-3-24-15-8-7-11(9-14(15)18(20)21)16(19)17-12-5-4-6-13(10-12)25(2,22)23/h4-10H,3H2,1-2H3,(H,17,19)