4-[(1E)-2-[(E)-benzoyl]-2-cyanoeth-1-en-1-yl]phenyl 4-nitrobenzoate

4-[(1E)-2-[(E)-benzoyl]-2-cyanoeth-1-en-1-yl]phenyl 4-nitrobenzoate

Formula: C23H14N2O5

SMILES: [O-][N+](=O)C1=CC=C(C=C1)C(=O)OC1=CC=C(C=C(/C#N)C(=O)C2=CC=CC=C2)C=C1

IUPAC: 4-[(1E)-2-[(E)-benzoyl]-2-cyanoeth-1-en-1-yl]phenyl 4-nitrobenzoate

InChI: InChI=1S/C23H14N2O5/c24-15-19(22(26)17-4-2-1-3-5-17)14-16-6-12-21(13-7-16)30-23(27)18-8-10-20(11-9-18)25(28)29/h1-14H/b19-14+

Composition: C (69.35%), H (3.54%), N (7.03%), O (20.08%)

Molar Mass: 398.374

Atom Count: 44

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	398.090271559
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	YDJSPVNQFJPENF-XMHGGMMESA-N
Lipinski's Rule of Five
Molar Refractivity	110.05
Topological Polar Surface Area	110.3
Polarizability	40.95
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H14N2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00