ethyl (2E)-2-cyano-3-{2-[2-(3-methylphenoxy)ethoxy]-5-nitrophenyl}prop-2-enoate

ethyl (2E)-2-cyano-3-{2-[2-(3-methylphenoxy)ethoxy]-5-nitrophenyl}prop-2-enoate

Formula: C21H20N2O6

SMILES: CCOC(=O)C(=CC1=CC(=CC=C1OCCOC1=CC=CC(C)=C1)[N+]([O-])=O)C#N

IUPAC: ethyl (2E)-2-cyano-3-{2-[2-(3-methylphenoxy)ethoxy]-5-nitrophenyl}prop-2-enoate

InChI: InChI=1S/C21H20N2O6/c1-3-27-21(24)17(14-22)12-16-13-18(23(25)26)7-8-20(16)29-10-9-28-19-6-4-5-15(2)11-19/h4-8,11-13H,3,9-10H2,1-2H3/b17-12+

Composition: C (63.63%), H (5.09%), N (7.07%), O (24.22%)

Molar Mass: 396.399

Atom Count: 49

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	396.132136372
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	KMPCIROZTHZVNQ-SFQUDFHCSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.01
Topological Polar Surface Area	111.69
Polarizability	40.04
Ring Count	2
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H20N2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00