4-(4-ethylsulfonylphenyl)-5-nitro-1H-pyrrole-3-carbonitrile

Systemtic Name: 4-(4-ethylsulfonylphenyl)-5-nitro-1H-pyrrole-3-carbonitrile Openeye Name: 4-(4-ethylsulfonylphenyl)-5-nitro-1H-pyrrole-3-carbonitrile CAS Name: 4-(4-ethylsulfonylphenyl)-5-nitro-1H-pyrrole-3-carbonitrile IUPAC Name: 4-(4-ethylsulfonylphenyl)-5-nitro-1H-pyrrole-3-carbonitrile Traditional Name: 4-(4-esylphenyl)-5-nitro-1H-pyrrole-3-carbonitrile Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)C2=C(NC=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)C2=C(NC=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O4S/c1-2-21(19,20)11-5-3-9(4-6-11)12-10(7-14)8-15-13(12)16(17)18/h3-6,8,15H,2H2,1H3