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2-[3-(3-chloro-phenyl)-ureido]-3-cyano-6-methyl-isonicotinic acid methyl ester
SpectraBase Compound ID IBpOINvqQuI
InChI InChI=1S/C16H13ClN4O3/c1-9-6-12(15(22)24-2)13(8-18)14(19-9)21-16(23)20-11-5-3-4-10(17)7-11/h3-7H,1-2H3,(H2,19,20,21,23)
InChIKey QKLJVSCSCAQYTI-UHFFFAOYSA-N
Mol Weight 344.76 g/mol
Molecular Formula C16H13ClN4O3
Exact Mass 344.067618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDKlU3cM69h
Name 2-[3-(3-chloro-phenyl)-ureido]-3-cyano-6-methyl-isonicotinic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClN4O3
InChI InChI=1S/C16H13ClN4O3/c1-9-6-12(15(22)24-2)13(8-18)14(19-9)21-16(23)20-11-5-3-4-10(17)7-11/h3-7H,1-2H3,(H2,19,20,21,23)
InChIKey QKLJVSCSCAQYTI-UHFFFAOYSA-N
Molecular Weight 344.758 g/mol
SMILES N(c1c(c(C(=O)OC)cc(n1)C)C#N)C(Nc1cc(Cl)ccc1)=O
SPLASH splash10-0006-7900000000-b67f691539ba5912c3fb
Synonyms Methyl 2-{[(3-chloroanilino)carbonyl]amino}-3-cyano-6-methylisonicotinate
Wiley ID 1452386