[(E)-but-2-enyl] 3-(6-ethyl-5-nitro-4-oxidanylidene-cyclohexa-1,5-dien-1-yl)propanoate

Systemtic Name: [(E)-but-2-enyl] 3-(6-ethyl-5-nitro-4-oxidanylidene-cyclohexa-1,5-dien-1-yl)propanoate Openeye Name: [(E)-but-2-enyl] 3-(6-ethyl-5-nitro-4-oxo-cyclohexa-1,5-dien-1-yl)propanoate CAS Name: 3-(6-ethyl-5-nitro-4-oxo-1-cyclohexa-1,5-dienyl)propanoic acid [(E)-but-2-enyl] ester IUPAC Name: [(E)-but-2-enyl] 3-(6-ethyl-5-nitro-4-oxocyclohexa-1,5-dien-1-yl)propanoate Traditional Name: 3-(6-ethyl-4-keto-5-nitro-cyclohexa-1,5-dien-1-yl)propionic acid [(E)-but-2-enyl] ester Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)CC=C1CCC(=O)OCC=CC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=O)CC=C1CCC(=O)OC/C=C/C)[N+](=O)[O-]

InChI

InChI=1S/C15H19NO5/c1-3-5-10-21-14(18)9-7-11-6-8-13(17)15(16(19)20)12(11)4-2/h3,5-6H,4,7-10H2,1-2H3/b5-3+