methyl (2E)-2-[(2-chloranyl-3-nitro-phenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: methyl (2E)-2-[(2-chloranyl-3-nitro-phenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: methyl (2E)-2-[(2-chloro-3-nitro-phenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(2-chloro-3-nitrophenyl)methylidene]-3-oxobutanoic acid methyl ester IUPAC Name: methyl (2E)-2-[(2-chloro-3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(2-chloro-3-nitro-phenyl)acrylic acid methyl ester Formula: C12H10ClNO5 MolecularWeight: 283.6645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClNO5/c1-7(15)9(12(16)19-2)6-8-4-3-5-10(11(8)13)14(17)18/h3-6H,1-2H3/b9-6+