3-nitrooxypropyl (2E)-2-[(3-cyanophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 3-nitrooxypropyl (2E)-2-[(3-cyanophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 3-nitrooxypropyl (2E)-2-[(3-cyanophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-cyanophenyl)methylidene]-3-oxobutanoic acid 3-nitrooxypropyl ester IUPAC Name: 3-nitrooxypropyl (2E)-2-[(3-cyanophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-cyanophenyl)acrylic acid 3-nitrooxypropyl ester Formula: C15H14N2O6 MolecularWeight: 318.28146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O6/c1-11(18)14(9-12-4-2-5-13(8-12)10-16)15(19)22-6-3-7-23-17(20)21/h2,4-5,8-9H,3,6-7H2,1H3/b14-9+