2-(3-nitrophenyl)-2-oxoethyl 2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}propanoate

2-(3-nitrophenyl)-2-oxoethyl 2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}propanoate

Formula: C20H18N2O7

SMILES: CC(N1C(=O)C2C3CC(C=C3)C2C1=O)C(=O)OCC(=O)C1=CC=CC(=C1)[N+]([O-])=O

IUPAC: 2-(3-nitrophenyl)-2-oxoethyl 2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}propanoate

InChI: InChI=1/C20H18N2O7/c1-10(21-18(24)16-12-5-6-13(7-12)17(16)19(21)25)20(26)29-9-15(23)11-3-2-4-14(8-11)22(27)28/h2-6,8,10,12-13,16-17H,7,9H2,1H3

Composition: C (60.30%), H (4.55%), N (7.03%), O (28.11%)

Molar Mass: 398.371

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	5
Exact Mass	398.111400928
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	BTWSFRYVPCVJKN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.11
Topological Polar Surface Area	123.89
Polarizability	37.8
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18N2O7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00