ethyl (2E)-2-[(1-methyl-5-nitro-imidazol-2-yl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2E)-2-[(1-methyl-5-nitro-imidazol-2-yl)methylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl (2E)-2-[(1-methyl-5-nitro-imidazol-2-yl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(1-methyl-5-nitro-2-imidazolyl)methylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(1-methyl-5-nitro-imidazol-2-yl)acrylic acid ethyl ester Formula: C11H13N3O5 MolecularWeight: 267.23802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=NC=C(N1C)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCOC(=O)/C(=C/C1=NC=C(N1C)[N+](=O)[O-])/C(=O)C

InChI

InChI=1S/C11H13N3O5/c1-4-19-11(16)8(7(2)15)5-9-12-6-10(13(9)3)14(17)18/h5-6H,4H2,1-3H3/b8-5+