(2E)-2-cyano-N-(2,4-dimethylphenyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enamide

(2E)-2-cyano-N-(2,4-dimethylphenyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enamide

Formula: C18H15N3O4

SMILES: CC1=CC=C(NC(=O)C(=CC2=CC=C(O)C(=C2)[N+]([O-])=O)C#N)C(C)=C1

IUPAC: (2E)-2-cyano-N-(2,4-dimethylphenyl)-3-(4-hydroxy-3-nitrophenyl)prop-2-enamide

InChI: InChI=1S/C18H15N3O4/c1-11-3-5-15(12(2)7-11)20-18(23)14(10-19)8-13-4-6-17(22)16(9-13)21(24)25/h3-9,22H,1-2H3,(H,20,23)/b14-8+

Composition: C (64.09%), H (4.48%), N (12.46%), O (18.97%)

Molar Mass: 337.335

Atom Count: 40

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	337.106255975
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	FJCTURFOOXVAIU-RIYZIHGNSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.77
Topological Polar Surface Area	116.26
Polarizability	34.11
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H15N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00