ethyl 4-[(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate

ethyl 4-[(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate

Formula: C21H20N2O6

SMILES: CCOC(=O)C1=CC=C(C=C1)N1NC(=O)C(=CC2=CC=C(O)C(OCC)=C2)C1=O

IUPAC: ethyl 4-[(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate

InChI: InChI=1S/C21H20N2O6/c1-3-28-18-12-13(5-10-17(18)24)11-16-19(25)22-23(20(16)26)15-8-6-14(7-9-15)21(27)29-4-2/h5-12,24H,3-4H2,1-2H3,(H,22,25)/b16-11-

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	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	VKZNINAGAOPTKU-WJDWOHSUSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.82
Topological Polar Surface Area	105.17
Polarizability	39.99
Ring Count	3
Rotatable Bond Count	7

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