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(16Z)-16-Ethylidene-Oxayohimban-19-One
[CAS# 5545-94-8]

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Identification
Name (16Z)-16-Ethylidene-Oxayohimban-19-One
Synonyms N-(3-Acetamidophenyl)-4-Methyl-3-Nitro-Benzamide; Mls000722837; Zinc00102919
Molecular Structure CAS#: 5545-94-8, (16Z)-16-Ethylidene-Oxayohimban-19-One
Molecular Formula C16H15N3O4
Molecular Weight 313.31
CAS Registry Number 5545-94-8
SMILES C1=C([N+]([O-])=O)C(=CC=C1C(NC2=CC=CC(=C2)NC(=O)C)=O)C
InChI 1S/C16H15N3O4/c1-10-6-7-12(8-15(10)19(22)23)16(21)18-14-5-3-4-13(9-14)17-11(2)20/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKey CXYXYUQDWCMCQA-UHFFFAOYSA-N
Properties
Density 1.365g/cm3 (Cal.)
Boiling point 479.672°C at 760 mmHg (Cal.)
Flash point 243.897°C (Cal.)
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