2-[(1-methyl-5-nitro-imidazol-2-yl)methylidene]indene-1,3-dione

Systemtic Name: 2-[(1-methyl-5-nitro-imidazol-2-yl)methylidene]indene-1,3-dione Openeye Name: 2-[(1-methyl-5-nitro-imidazol-2-yl)methylene]indane-1,3-dione CAS Name: 2-[(1-methyl-5-nitro-2-imidazolyl)methylidene]indene-1,3-dione IUPAC Name: 2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]indene-1,3-dione Traditional Name: 2-[(1-methyl-5-nitro-imidazol-2-yl)methylene]indane-1,3-quinone Formula: C14H9N3O4 MolecularWeight: 283.23896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C=C2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C=C2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O4/c1-16-11(15-7-12(16)17(20)21)6-10-13(18)8-4-2-3-5-9(8)14(10)19/h2-7H,1H3