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

Systemtic Name: undecyl (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: undecyl (2Z)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid undecyl ester IUPAC Name: undecyl (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (Z)-2-acetyl-3-(3-nitrophenyl)acrylic acid undecyl ester Formula: C22H31NO5 MolecularWeight: 389.48524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO5/c1-3-4-5-6-7-8-9-10-11-15-28-22(25)21(18(2)24)17-19-13-12-14-20(16-19)23(26)27/h12-14,16-17H,3-11,15H2,1-2H3/b21-17-