4-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitro-hex-3-enoyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitro-hex-3-enoyl]piperazine-1-carbaldehyde Openeye Name: 4-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitro-hex-3-enoyl]piperazine-1-carbaldehyde CAS Name: 4-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitro-1-oxohex-3-enyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enoyl]piperazine-1-carbaldehyde Traditional Name: 4-[(E,2Z)-4-ethyl-2-hydroximino-5-nitro-hex-3-enoyl]piperazine-1-carbaldehyde Formula: C13H20N4O5 MolecularWeight: 312.3217

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC(=NO)C(=O)N1CCN(CC1)C=O)C(C)[N+](=O)[O-]

Isomeric SMILES

CC/C(=C\C(=N\O)\C(=O)N1CCN(CC1)C=O)/C(C)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O5/c1-3-11(10(2)17(21)22)8-12(14-20)13(19)16-6-4-15(9-18)5-7-16/h8-10,20H,3-7H2,1-2H3/b11-8+,14-12-