3-nitrooxypropyl (2E)-2-[[2,3-bis(chloranyl)phenyl]methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 3-nitrooxypropyl (2E)-2-[[2,3-bis(chloranyl)phenyl]methylidene]-3-oxidanylidene-butanoate Openeye Name: 3-nitrooxypropyl (2E)-2-[(2,3-dichlorophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(2,3-dichlorophenyl)methylidene]-3-oxobutanoic acid 3-nitrooxypropyl ester IUPAC Name: 3-nitrooxypropyl (2E)-2-[(2,3-dichlorophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(2,3-dichlorophenyl)acrylic acid 3-nitrooxypropyl ester Formula: C14H13Cl2NO6 MolecularWeight: 362.16212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=C(C(=CC=C1)Cl)Cl)C(=O)OCCCO[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C(=C\C1=C(C(=CC=C1)Cl)Cl)/C(=O)OCCCO[N+](=O)[O-]

InChI

InChI=1S/C14H13Cl2NO6/c1-9(18)11(8-10-4-2-5-12(15)13(10)16)14(19)22-6-3-7-23-17(20)21/h2,4-5,8H,3,6-7H2,1H3/b11-8+