N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitro-hex-3-enyl]pyridine-3-sulfonamide

Systemtic Name: N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitro-hex-3-enyl]pyridine-3-sulfonamide Openeye Name: N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitro-hex-3-enyl]pyridine-3-sulfonamide CAS Name: N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enyl]-3-pyridinesulfonamide IUPAC Name: N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enyl]pyridine-3-sulfonamide Traditional Name: N-[(E,2Z)-4-ethyl-2-hydroximino-5-nitro-hex-3-enyl]pyridine-3-sulfonamide Formula: C13H18N4O5S MolecularWeight: 342.37082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC(=NO)CNS(=O)(=O)C1=CN=CC=C1)C(C)[N+](=O)[O-]

Isomeric SMILES

CC/C(=C\C(=N\O)\CNS(=O)(=O)C1=CN=CC=C1)/C(C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O5S/c1-3-11(10(2)17(19)20)7-12(16-18)8-15-23(21,22)13-5-4-6-14-9-13/h4-7,9-10,15,18H,3,8H2,1-2H3/b11-7+,16-12-