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N-(2-{(2Z)-2-[1-(3-cyanopropyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]hydrazino}-2-oxoethyl)-3-methoxybenzamide
SpectraBase Compound ID 6LqE7uXitt5
InChI InChI=1S/C22H21N5O4/c1-31-16-8-6-7-15(13-16)21(29)24-14-19(28)25-26-20-17-9-2-3-10-18(17)27(22(20)30)12-5-4-11-23/h2-3,6-10,13H,4-5,12,14H2,1H3,(H,24,29)(H,25,28)/b26-20-
InChIKey OFUPLGIWCZLMNO-QOMWVZHYSA-N
Mol Weight 419.44 g/mol
Molecular Formula C22H21N5O4
Exact Mass 419.159354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FU8KDWkqumh
Name N-(2-{(2Z)-2-[1-(3-Cyanopropyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]hydrazino}-2-oxoethyl)-3-methoxybenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.159354172 u
Formula C22H21N5O4
InChI InChI=1S/C22H21N5O4/c1-31-16-8-6-7-15(13-16)21(29)24-14-19(28)25-26-20-17-9-2-3-10-18(17)27(22(20)30)12-5-4-11-23/h2-3,6-10,13H,4-5,12,14H2,1H3,(H,24,29)(H,25,28)/b26-20-
InChIKey OFUPLGIWCZLMNO-QOMWVZHYSA-N
Molecular Weight 419.441 g/mol
SMILES N(C(CNC(C1=CC(OC)=CC=C1)=O)=O)\N=C/1C(N(CCCC#N)C=2C1=CC=CC2)=O