2-[[(Z,2Z)-4-ethyl-2-hydroxyimino-5-nitro-hex-3-enoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[(Z,2Z)-4-ethyl-2-hydroxyimino-5-nitro-hex-3-enoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[(Z,2Z)-4-ethyl-2-hydroxyimino-5-nitro-hex-3-enoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[(Z,2Z)-4-ethyl-2-hydroxyimino-5-nitro-1-oxohex-3-enyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[(Z,2Z)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[(Z,2Z)-4-ethyl-2-hydroximino-5-nitro-hex-3-enoyl]amino]-3-hydroxy-butyric acid Formula: C12H19N3O7 MolecularWeight: 317.29516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC/C(=C/C(=N/O)/C(=O)NC(C(C)O)C(=O)O)/C(C)[N+](=O)[O-]

InChI

InChI=1S/C12H19N3O7/c1-4-8(6(2)15(21)22)5-9(14-20)11(17)13-10(7(3)16)12(18)19/h5-7,10,16,20H,4H2,1-3H3,(H,13,17)(H,18,19)/b8-5-,14-9-