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N-[(Z)-1-(4-chlorophenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]-3-oxidanylidene-prop-1-en-2-yl]-3-nitro-benzamide
SpectraBase Compound ID C6tYnbDUauc
InChI InChI=1S/C27H23ClN4O4/c1-17-22(23-7-2-3-8-24(23)30-17)13-14-29-27(34)25(15-18-9-11-20(28)12-10-18)31-26(33)19-5-4-6-21(16-19)32(35)36/h2-12,15-16,30H,13-14H2,1H3,(H,29,34)(H,31,33)/b25-15-
InChIKey LZKZRHMBWDOZDA-MYYYXRDXSA-N
Mol Weight 502.96 g/mol
Molecular Formula C27H23ClN4O4
Exact Mass 502.140783 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BoJgXUK3oTh
Name N-[(Z)-1-(4-chlorophenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]-3-oxidanylidene-prop-1-en-2-yl]-3-nitro-benzamide
Alternate Name(s) N-[(Z)-1-(4-chlorophenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]-3-nitrobenzamide N-[(Z)-2-(4-chlorophenyl)-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]vinyl]-3-nitro-benzamide
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Formula C27H23ClN4O4
InChI InChI=1S/C27H23ClN4O4/c1-17-22(23-7-2-3-8-24(23)30-17)13-14-29-27(34)25(15-18-9-11-20(28)12-10-18)31-26(33)19-5-4-6-21(16-19)32(35)36/h2-12,15-16,30H,13-14H2,1H3,(H,29,34)(H,31,33)/b25-15-
InChIKey LZKZRHMBWDOZDA-MYYYXRDXSA-N
Molecular Weight 502.958 g/mol
SMILES [nH]1c2c(c(CCNC(\C(NC(c3cc(N(=O)=O)ccc3)=O)=C/c3ccc(cc3)Cl)=O)c1C)cccc2
SPLASH splash10-0f6x-2900000000-c1dabd4d99553cdc1f83
Wiley ID 1445335