2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 6,8-bis(bromanyl)-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 6,8-bis(bromanyl)-2-oxidanylidene-chromene-3-carboxylate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 6,8-dibromo-2-oxo-chromene-3-carboxylate CAS Name: 6,8-dibromo-2-oxo-1-benzopyran-3-carboxylic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 6,8-dibromo-2-oxochromene-3-carboxylate Traditional Name: 6,8-dibromo-2-keto-chromene-3-carboxylic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C16H11Br2N3O6 MolecularWeight: 501.08304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H11Br2N3O6/c1-8-19-7-13(21(24)25)20(8)2-3-26-15(22)11-5-9-4-10(17)6-12(18)14(9)27-16(11)23/h4-7H,2-3H2,1H3