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名称: starting material I

IUPAC: 8-methyl-5-(4-nitrophenyl)-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carbothioamide

SMILES: CC1Cc2cc3c(cc2C(c2ccc([N+](=O)[O-])cc2)=NN1C(N)=S)OCO3

Canonical SMILES: CC1CC2=CC3=C(C=C2C(=NN1C(=S)N)C4=CC=C(C=C4)[N+](=O)[O-])OCO3

分子式: C18H16N4O4S

分子量: 384.40

InChIKey: JAROUUAFUALQND-UHFFFAOYSA-N

InChI: InChI=1S/C18H16N4O4S/c1-10-6-12-7-15-16(26-9-25-15)8-14(12)17(20-21(10)18(19)27)11-2-4-13(5-3-11)22(23)24/h2-5,7-8,10H,6,9H2,1H3,(H2,19,27)

PubChem CID: 12137394 →

同義語

JAROUUAFUALQND-UHFFFAOYSA-N(+/-)-8-Methyl-5-(4-nitrophenyl)-7-thiocarbamoyl-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine(+/-)-8-Methyl-5-(4-nitrophenyl)-7-thiocarbamoyl-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2.3]benzodiazepine

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