methyl (2E)-4-methyl-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-hexanoate

Systemtic Name: methyl (2E)-4-methyl-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-hexanoate Openeye Name: methyl (2E)-4-methyl-2-[(3-nitrophenyl)methylene]-3-oxo-hexanoate CAS Name: (2E)-4-methyl-2-[(3-nitrophenyl)methylidene]-3-oxohexanoic acid methyl ester IUPAC Name: methyl (2E)-4-methyl-2-[(3-nitrophenyl)methylidene]-3-oxohexanoate Traditional Name: (E)-2-(2-methylbutanoyl)-3-(3-nitrophenyl)acrylic acid methyl ester Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO5/c1-4-10(2)14(17)13(15(18)21-3)9-11-6-5-7-12(8-11)16(19)20/h5-10H,4H2,1-3H3/b13-9+