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

Systemtic Name: [(E,2Z)-4-ethyl-2-hydroxyimino-5-nitro-hex-3-enyl] pyridine-3-carboxylate Openeye Name: [(E,2Z)-4-ethyl-2-hydroxyimino-5-nitro-hex-3-enyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(E,2Z)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enyl] ester IUPAC Name: [(E,2Z)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(E,2Z)-4-ethyl-2-hydroximino-5-nitro-hex-3-enyl] ester Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O5/c1-3-11(10(2)17(20)21)7-13(16-19)9-22-14(18)12-5-4-6-15-8-12/h4-8,10,19H,3,9H2,1-2H3/b11-7+,16-13-