2-(4-nitrophenyl)-2-oxoethyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}benzoate

2-(4-nitrophenyl)-2-oxoethyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}benzoate

Formula: C26H20N2O7

SMILES: [O-][N+](=O)C1=CC=C(C=C1)C(=O)COC(=O)C1=CC=CC=C1N1C(=O)C2C(C3C=CC2C2CC32)C1=O

IUPAC: 2-(4-nitrophenyl)-2-oxoethyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}benzoate

InChI: InChI=1/C26H20N2O7/c29-21(13-5-7-14(8-6-13)28(33)34)12-35-26(32)17-3-1-2-4-20(17)27-24(30)22-15-9-10-16(19-11-18(15)19)23(22)25(27)31/h1-10,15-16,18-19,22-23H,11-12H2

Composition: C (66.10%), H (4.27%), N (5.93%), O (23.70%)

Molar Mass: 472.453

Atom Count: 55

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	6
Exact Mass	472.127050992
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	IPEGQBFRBNFJRQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	122.86
Topological Polar Surface Area	123.89
Polarizability	46.55
Ring Count	6
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H20N2O7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00