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methyl 3-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}-1H-indole-2-carboxylate

View entire compound with spectra: 2 NMR

methyl 3-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}-1H-indole-2-carboxylate
SpectraBase Compound ID Js4bqFjBtV1
InChI InChI=1S/C20H16N2O5/c1-25-20(24)19-18(13-4-2-3-5-14(13)21-19)22-17(23)9-7-12-6-8-15-16(10-12)27-11-26-15/h2-10,21H,11H2,1H3,(H,22,23)/b9-7+
InChIKey YVJKFPPOOLYPDW-VQHVLOKHSA-N
Mol Weight 364.36 g/mol
Molecular Formula C20H16N2O5
Exact Mass 364.105922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4D61EQdjHmd
Name Methyl 3-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}-1H-indole-2-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 364.105921618 u
Formula C20H16N2O5
InChI InChI=1S/C20H16N2O5/c1-25-20(24)19-18(13-4-2-3-5-14(13)21-19)22-17(23)9-7-12-6-8-15-16(10-12)27-11-26-15/h2-10,21H,11H2,1H3,(H,22,23)/b9-7+
InChIKey YVJKFPPOOLYPDW-VQHVLOKHSA-N
Molecular Weight 364.357 g/mol
SMILES N1C2=CC=CC=C2C(=C1C(=O)OC)NC(\C=C\C1=CC=2OCOC2C=C1)=O