(2E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-N-(4-hydroxyphenyl)prop-2-enamide

(2E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-N-(4-hydroxyphenyl)prop-2-enamide

Formula: C17H13N3O6

SMILES: COC1=C(O)C(=CC(C=C(/C#N)C(=O)NC2=CC=C(O)C=C2)=C1)[N+]([O-])=O

IUPAC: (2E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-N-(4-hydroxyphenyl)prop-2-enamide

InChI: InChI=1S/C17H13N3O6/c1-26-15-8-10(7-14(16(15)22)20(24)25)6-11(9-18)17(23)19-12-2-4-13(21)5-3-12/h2-8,21-22H,1H3,(H,19,23)/b11-6+

Composition: C (57.47%), H (3.69%), N (11.83%), O (27.02%)

Molar Mass: 355.306

Atom Count: 39

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	355.080435151
Formal Charge	0
FSP3	0.06
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	HAQXSQVDXUPVLF-IZZDOVSWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.14
Topological Polar Surface Area	145.72
Polarizability	33.79
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H13N3O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00