2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-oxidanylidenechromene-2-carboxylate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-oxidanylidenechromene-2-carboxylate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C16H13N3O6 MolecularWeight: 343.29092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C2=CC(=O)C3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C2=CC(=O)C3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6/c1-10-17-9-15(19(22)23)18(10)6-7-24-16(21)14-8-12(20)11-4-2-3-5-13(11)25-14/h2-5,8-9H,6-7H2,1H3