methyl 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-cyano-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-cyano-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-cyano-6-oxo-pyridine-3-carboxylate CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-cyano-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-cyano-6-oxopyridine-3-carboxylate Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-cyano-6-keto-nicotinic acid methyl ester Formula: C18H15ClN2O5 MolecularWeight: 374.7751

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C(=C1)C#N)CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC(=O)C1=CN(C(=O)C(=C1)C#N)CC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C18H15ClN2O5/c1-24-18(23)13-7-12(8-20)17(22)21(10-13)9-11-5-14(19)16-15(6-11)25-3-2-4-26-16/h5-7,10H,2-4,9H2,1H3