CHEBI:123298 - N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide

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ChEBI Name N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide
ChEBI ID CHEBI:123298
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H18ClN5O5S
Net Charge 0
Average Mass 451.886
Monoisotopic Mass 451.07172
InChI InChI=1S/C18H18ClN5O5S/c1-29-15-10-11(24(27)28)6-7-14(15)21-18(30)23-22-17(26)9-8-16(25)20-13-5-3-2-4-12(13)19/h2-7,10H,8-9H2,1H3,(H,20,25)(H,22,26)(H2,21,23,30)
InChIKey IFCVNIZISSOMNT-UHFFFAOYSA-N
SMILES COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl
ChEBI Ontology
Outgoing N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide (CHEBI:123298) is a C-nitro compound (CHEBI:35716)
N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide (CHEBI:123298) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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