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

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 8-ethoxy-2-oxidanylidene-chromene-3-carboxylate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 8-ethoxy-2-oxo-chromene-3-carboxylate CAS Name: 8-ethoxy-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 8-ethoxy-2-oxochromene-3-carboxylate Traditional Name: 8-ethoxy-2-keto-chromene-3-carboxylic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)OCCN3C(=NC=C3[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)OCCN3C(=NC=C3[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O7/c1-3-26-14-6-4-5-12-9-13(18(23)28-16(12)14)17(22)27-8-7-20-11(2)19-10-15(20)21(24)25/h4-6,9-10H,3,7-8H2,1-2H3