[(2Z)-2-(2-methoxy-2-oxidanylidene-ethylidene)-3-oxidanylidene-1,4-diazepan-6-yl] 4-(trifluoromethyl)benzoate

Systemtic Name: [(2Z)-2-(2-methoxy-2-oxidanylidene-ethylidene)-3-oxidanylidene-1,4-diazepan-6-yl] 4-(trifluoromethyl)benzoate Openeye Name: [(2Z)-2-(2-methoxy-2-oxo-ethylidene)-3-oxo-1,4-diazepan-6-yl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [(2Z)-2-(2-methoxy-2-oxoethylidene)-3-oxo-1,4-diazepan-6-yl] ester IUPAC Name: [(2Z)-2-(2-methoxy-2-oxoethylidene)-3-oxo-1,4-diazepan-6-yl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [(3Z)-2-keto-3-(2-keto-2-methoxy-ethylidene)-1,4-diazepan-6-yl] ester Formula: C16H15F3N2O5 MolecularWeight: 372.29591

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1C(=O)NCC(CN1)OC(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COC(=O)/C=C\1/C(=O)NCC(CN1)OC(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H15F3N2O5/c1-25-13(22)6-12-14(23)21-8-11(7-20-12)26-15(24)9-2-4-10(5-3-9)16(17,18)19/h2-6,11,20H,7-8H2,1H3,(H,21,23)/b12-6-