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

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 6-bromanyl-8-methoxy-2-oxidanylidene-chromene-3-carboxylate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 6-bromo-8-methoxy-2-oxo-chromene-3-carboxylate CAS Name: 6-bromo-8-methoxy-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-bromo-8-methoxy-2-oxochromene-3-carboxylate Traditional Name: 6-bromo-2-keto-8-methoxy-chromene-3-carboxylic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C17H14BrN3O7 MolecularWeight: 452.21296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3O7/c1-9-19-8-14(21(24)25)20(9)3-4-27-16(22)12-6-10-5-11(18)7-13(26-2)15(10)28-17(12)23/h5-8H,3-4H2,1-2H3