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2H-Isoquinolin-1-one, 3-amino-2-benzyl-7-nitro-4-thiophen-2-yl-
SpectraBase Compound ID Bg7QPZiBysm
InChI InChI=1S/C20H15N3O3S/c21-19-18(17-7-4-10-27-17)15-9-8-14(23(25)26)11-16(15)20(24)22(19)12-13-5-2-1-3-6-13/h1-11H,12,21H2
InChIKey KVPPDBKACGPXEV-UHFFFAOYSA-N
Mol Weight 377.42 g/mol
Molecular Formula C20H15N3O3S
Exact Mass 377.083413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13HjIcqez7K
Name 2H-Isoquinolin-1-one, 3-amino-2-benzyl-7-nitro-4-thiophen-2-yl-
Alternate Name(s) 3-Amino-2-benzyl-7-nitro-4-(2-thienyl)isocarbostyril 3-Amino-2-benzyl-7-nitro-4-(2-thienyl)isoquinolin-1-one 3-Amino-2-benzyl-7-nitro-4-thiophen-2-ylisoquinolin-1-one 3-Amino-7-nitro-2-(phenylmethyl)-4-thiophen-2-yl-1-isoquinolinone 3-Azanyl-7-nitro-2-(phenylmethyl)-4-thiophen-2-yl-isoquinolin-1-one
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Formula C20H15N3O3S
InChI InChI=1S/C20H15N3O3S/c21-19-18(17-7-4-10-27-17)15-9-8-14(23(25)26)11-16(15)20(24)22(19)12-13-5-2-1-3-6-13/h1-11H,12,21H2
InChIKey KVPPDBKACGPXEV-UHFFFAOYSA-N
Molecular Weight 377.418 g/mol
SMILES NC=1N(C(c2c(ccc(N(=O)=O)c2)C1c1sccc1)=O)Cc1ccccc1
SPLASH splash10-0006-9201000000-600321e61068d9e466ed
Wiley ID 1440608