octyl (2Z)-2-[(2-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: octyl (2Z)-2-[(2-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: octyl (2Z)-2-[(2-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2Z)-2-[(2-nitrophenyl)methylidene]-3-oxobutanoic acid octyl ester IUPAC Name: octyl (2Z)-2-[(2-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (Z)-2-acetyl-3-(2-nitrophenyl)acrylic acid octyl ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5/c1-3-4-5-6-7-10-13-25-19(22)17(15(2)21)14-16-11-8-9-12-18(16)20(23)24/h8-9,11-12,14H,3-7,10,13H2,1-2H3/b17-14-