ethyl 2-(1,2-diazepin-1-yl)-6-(2-ethynoxy-2-oxidanylidene-ethyl)benzoate

Systemtic Name: ethyl 2-(1,2-diazepin-1-yl)-6-(2-ethynoxy-2-oxidanylidene-ethyl)benzoate Openeye Name: ethyl 2-(diazepin-1-yl)-6-(2-ethynoxy-2-oxo-ethyl)benzoate CAS Name: 2-(1-diazepinyl)-6-(2-ethynoxy-2-oxoethyl)benzoic acid ethyl ester IUPAC Name: ethyl 2-(diazepin-1-yl)-6-(2-ethynoxy-2-oxoethyl)benzoate Traditional Name: 2-(diazepin-1-yl)-6-(2-ethynoxy-2-keto-ethyl)benzoic acid ethyl ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC=C1N2C=CC=CC=N2)CC(=O)OC#C

Isomeric SMILES

CCOC(=O)C1=C(C=CC=C1N2C=CC=CC=N2)CC(=O)OC#C

InChI

InChI=1S/C18H16N2O4/c1-3-23-16(21)13-14-9-8-10-15(17(14)18(22)24-4-2)20-12-7-5-6-11-19-20/h1,5-12H,4,13H2,2H3