Molecular structure of 3-Methoxy-4-nitro-N-(4-oxocyclohexyl)benzamide (CAS NO.882660-33-5) is:
Product Name: 3-Methoxy-4-nitro-N-(4-oxocyclohexyl)benzamide
CAS Registry Number: 882660-33-5
Systematic Name: 3-methoxy-4-nitro-N-(4-oxocyclohexyl)benzamide
Molecular Formula: C14H16N2O5
Molecular Weight: 292.29
Index of Refraction: 1.574
Molar Refractivity: 73.382 cm3
Molar Volume: 222.259 cm3
Surface Tension: 55.576 dyne/cm
Density: 1.315 g/cm3
Flash Point: 259.882 °C
Enthalpy of Vaporization: 77.592 kJ/mol
Boiling Point: 506.103 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
SMILES: O=C(NC1CCC(=O)CC1)c2ccc([N+]([O-])=O)c(OC)c2
InChI: InChI=1/C14H16N2O5/c1-21-13-8-9(2-7-12(13)16(19)20)14(18)15-10-3-5-11(17)6-4-10/h2,7-8,10H,3-6H2,1H3,(H,15,18)
InChIKey: XNHBFPYXFTUJGA-UHFFFAOYAD
Std. InChI: InChI=1S/C14H16N2O5/c1-21-13-8-9(2-7-12(13)16(19)20)14(18)15-10-3-5-11(17)6-4-10/h2,7-8,10H,3-6H2,1H3,(H,15,18)
Std. InChIKey: XNHBFPYXFTUJGA-UHFFFAOYSA-N
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