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2-Amino-3-cyano-7-dimethylamino-4-(5-(4-nitrophenyl)-isoxazol-3-yl)-4H-chromene
SpectraBase Compound ID JI80XZd1mo2
InChI InChI=1S/C21H17N5O4/c1-25(2)14-7-8-15-19(9-14)29-21(23)16(11-22)20(15)17-10-18(30-24-17)12-3-5-13(6-4-12)26(27)28/h3-10,20H,23H2,1-2H3
InChIKey MFKLOOPPSCGPID-UHFFFAOYSA-N
Mol Weight 403.4 g/mol
Molecular Formula C21H17N5O4
Exact Mass 403.128054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHW02obCfP1
Name 2-Amino-3-cyano-7-dimethylamino-4-(5-(4-nitrophenyl)-isoxazol-3-yl)-4H-chromene
Alternate Name(s) 2-Amino-7-(dimethylamino)-4-(5-(4-nitrophenyl)isoxazol-3-yl)-4H-chromene-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N5O4
InChI InChI=1S/C21H17N5O4/c1-25(2)14-7-8-15-19(9-14)29-21(23)16(11-22)20(15)17-10-18(30-24-17)12-3-5-13(6-4-12)26(27)28/h3-10,20H,23H2,1-2H3
InChIKey MFKLOOPPSCGPID-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201100345
Molecular Weight 403.398 g/mol
SMILES NC1=C(C(c2ccc(cc2O1)N(C)C)c1noc(c1)-c1ccc(cc1)[N+](=O)[O-])C#N
SPLASH splash10-0ik9-3690200000-6d6d954a717c32e772e9
Source of Spectrum APC-345-390-7i
Wiley ID 1769381