2-(4-methylphenyl)-2-oxoethyl 3-(3-nitrobenzamido)benzoate

2-(4-methylphenyl)-2-oxoethyl 3-(3-nitrobenzamido)benzoate

Formula: C23H18N2O6

SMILES: CC1=CC=C(C=C1)C(=O)COC(=O)C1=CC=CC(NC(=O)C2=CC=CC(=C2)[N+]([O-])=O)=C1

IUPAC: 2-(4-methylphenyl)-2-oxoethyl 3-(3-nitrobenzamido)benzoate

InChI: InChI=1S/C23H18N2O6/c1-15-8-10-16(11-9-15)21(26)14-31-23(28)18-5-2-6-19(12-18)24-22(27)17-4-3-7-20(13-17)25(29)30/h2-13H,14H2,1H3,(H,24,27)

Composition: C (66.03%), H (4.34%), N (6.70%), O (22.94%)

Molar Mass: 418.405

Atom Count: 49

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	418.116486308
Formal Charge	0
FSP3	0.09
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	VRUQVIQVCCIVOD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.88
Topological Polar Surface Area	115.61
Polarizability	42.5
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H18N2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00