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(Z)-N-Acetyl-5-nitro-2-ethoxycarbonyldehydrotryptophan Methyl ester
SpectraBase Compound ID 7utL1wjhSKT
InChI InChI=1S/C17H17N3O7/c1-4-27-17(23)15-12(8-14(16(22)26-3)18-9(2)21)11-7-10(20(24)25)5-6-13(11)19-15/h5-8,19H,4H2,1-3H3,(H,18,21)/b14-8-
InChIKey QPPQHHPQBDSMCO-ZSOIEALJSA-N
Mol Weight 375.34 g/mol
Molecular Formula C17H17N3O7
Exact Mass 375.10665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdVDExblhpT
Name (Z)-N-Acetyl-5-nitro-2-ethoxycarbonyldehydrotryptophan Methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C17H17N3O7
InChI InChI=1S/C17H17N3O7/c1-4-27-17(23)15-12(8-14(16(22)26-3)18-9(2)21)11-7-10(20(24)25)5-6-13(11)19-15/h5-8,19H,4H2,1-3H3,(H,18,21)/b14-8-
InChIKey QPPQHHPQBDSMCO-ZSOIEALJSA-N
Molecular Weight 375.337 g/mol
SMILES [nH]1c2c(c(\C=C/(C(=O)OC)NC(=O)C)c1C(=O)OCC)cc(cc2)N(=O)=O
SPLASH splash10-001i-0009000000-54a028742d3d07642b35
Source of Spectrum E1-42-836-9
Synonyms 3-[(Z)-2-acetamido-3-methoxy-3-oxoprop-1-enyl]-5-nitro-1H-indole-2-carboxylic acid ethyl ester ethyl 3-[(Z)-2-acetamido-3-methoxy-3-oxoprop-1-enyl]-5-nitro-1H-indole-2-carboxylate ethyl 3-[(Z)-2-acetamido-3-methoxy-3-oxo-prop-1-enyl]-5-nitro-1H-indole-2-carboxylate ethyl 3-[(Z)-2-acetamido-3-methoxy-3-oxidanylidene-prop-1-enyl]-5-nitro-1H-indole-2-carboxylate
Wiley ID 1552506