ethyl 3-(3,3-dimethyl-1-oxidanylidene-4H-isochromen-4-yl)imidazole-4-carboxylate

Systemtic Name: ethyl 3-(3,3-dimethyl-1-oxidanylidene-4H-isochromen-4-yl)imidazole-4-carboxylate Openeye Name: ethyl 3-(3,3-dimethyl-1-oxo-isochroman-4-yl)imidazole-4-carboxylate CAS Name: 3-(3,3-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-4-yl)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,3-dimethyl-1-oxo-4H-isochromen-4-yl)imidazole-4-carboxylate Traditional Name: 3-(1-keto-3,3-dimethyl-isochroman-4-yl)imidazole-4-carboxylic acid ethyl ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=CN1C2C3=CC=CC=C3C(=O)OC2(C)C

Isomeric SMILES

CCOC(=O)C1=CN=CN1C2C3=CC=CC=C3C(=O)OC2(C)C

InChI

InChI=1S/C17H18N2O4/c1-4-22-16(21)13-9-18-10-19(13)14-11-7-5-6-8-12(11)15(20)23-17(14,2)3/h5-10,14H,4H2,1-3H3