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GYORKQGOWORNAF-SEYXRHQNSA-N
SpectraBase Compound ID F4B0hv6SNIz
InChI InChI=1S/C16H9N5O2/c1-21-15(22)11-5-3-2-4-10(11)13(16(21)23)12(8-19)14(20)9(6-17)7-18/h2-5H,20H2,1H3/b13-12-
InChIKey GYORKQGOWORNAF-SEYXRHQNSA-N
Mol Weight 303.28 g/mol
Molecular Formula C16H9N5O2
Exact Mass 303.075625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nohdzOFaKo
Name (3E)-2-amino-3-(1,3-diketo-2-methyl-4-isoquinolylidene)prop-1-ene-1,1,3-tricarbonitrile
CAS Registry Number 129764-25-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9N5O2
InChI InChI=1S/C16H9N5O2/c1-21-15(22)11-5-3-2-4-10(11)13(16(21)23)12(8-19)14(20)9(6-17)7-18/h2-5H,20H2,1H3/b13-12-
InChIKey GYORKQGOWORNAF-SEYXRHQNSA-N
Molecular Weight 303.281 g/mol
SMILES NC(\C(=C/1C(N(C)C(c2c1cccc2)=O)=O)C#N)=C(C#N)C#N
SPLASH splash10-0udr-0095000000-1439b6077f8c4179431b
Source of Spectrum AH-121-192-4
Synonyms (3E)-2-amino-3-(2-methyl-1,3-dioxo-4-isoquinolinylidene)-1-propene-1,1,3-tricarbonitrile (3E)-2-amino-3-(2-methyl-1,3-dioxo-4-isoquinolylidene)prop-1-ene-1,1,3-tricarbonitrile (3E)-2-amino-3-(2-methyl-1,3-dioxoisoquinolin-4-ylidene)prop-1-ene-1,1,3-tricarbonitrile (3E)-2-azanyl-3-[2-methyl-1,3-bis(oxidanylidene)isoquinolin-4-ylidene]prop-1-ene-1,1,3-tricarbonitrile
Wiley ID 1305540