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

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 6-bromo-2-oxo-chromene-3-carboxylate CAS Name: 6-bromo-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-2-oxochromene-3-carboxylate Traditional Name: 6-bromo-2-keto-chromene-3-carboxylic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C16H12BrN3O6 MolecularWeight: 422.18698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrN3O6/c1-9-18-8-14(20(23)24)19(9)4-5-25-15(21)12-7-10-6-11(17)2-3-13(10)26-16(12)22/h2-3,6-8H,4-5H2,1H3