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4-[(5-cyano-2-keto-6-methoxy-3,4-dihydro-1H-pyridin-3-yl)methylamino]benzoic acid methyl ester
SpectraBase Compound ID 4hACP15k03s
InChI InChI=1S/C16H17N3O4/c1-22-15-11(8-17)7-12(14(20)19-15)9-18-13-5-3-10(4-6-13)16(21)23-2/h3-6,12,18H,7,9H2,1-2H3,(H,19,20)
InChIKey VGEHGCMTJODUFF-UHFFFAOYSA-N
Mol Weight 315.33 g/mol
Molecular Formula C16H17N3O4
Exact Mass 315.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59ZEyjOJYQs
Name 4-[(5-cyano-2-keto-6-methoxy-3,4-dihydro-1H-pyridin-3-yl)methylamino]benzoic acid methyl ester
Alternate Name(s) 4-[(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methylamino]benzoic acid methyl ester Methyl 4-[(5-cyano-6-methoxy-2-oxidanylidene-3,4-dihydro-1H-pyridin-3-yl)methylamino]benzoate Methyl 4-[(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methylamino]benzoate
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Formula C16H17N3O4
InChI InChI=1S/C16H17N3O4/c1-22-15-11(8-17)7-12(14(20)19-15)9-18-13-5-3-10(4-6-13)16(21)23-2/h3-6,12,18H,7,9H2,1-2H3,(H,19,20)
InChIKey VGEHGCMTJODUFF-UHFFFAOYSA-N
Molecular Weight 315.329 g/mol
SMILES N1C(C(CNc2ccc(C(=O)OC)cc2)CC(=C1OC)C#N)=O
SPLASH splash10-03di-0900000000-997caae4cfb824db85cb
Source of Spectrum F2-41-3543-12
Wiley ID 1599734