1-chloranylpropan-2-yl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 1-chloranylpropan-2-yl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: (2-chloro-1-methyl-ethyl) (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid 1-chloropropan-2-yl ester IUPAC Name: 1-chloropropan-2-yl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid (2-chloro-1-methyl-ethyl) ester Formula: C14H14ClNO5 MolecularWeight: 311.71766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO5/c1-9(8-15)21-14(18)13(10(2)17)7-11-4-3-5-12(6-11)16(19)20/h3-7,9H,8H2,1-2H3/b13-7+