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

Systemtic Name: N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitro-hex-3-enyl]pyrazine-2-carboxamide Openeye Name: N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitro-hex-3-enyl]pyrazine-2-carboxamide CAS Name: N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enyl]-2-pyrazinecarboxamide IUPAC Name: N-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enyl]pyrazine-2-carboxamide Traditional Name: N-[(E,2Z)-4-ethyl-2-hydroximino-5-nitro-hex-3-enyl]pyrazinamide Formula: C13H17N5O4 MolecularWeight: 307.30518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O4/c1-3-10(9(2)18(21)22)6-11(17-20)7-16-13(19)12-8-14-4-5-15-12/h4-6,8-9,20H,3,7H2,1-2H3,(H,16,19)/b10-6+,17-11-