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(2E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(4-methoxy-2-nitrophenyl)prop-2-enamide

(2E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(4-methoxy-2-nitrophenyl)prop-2-enamide

Formula: C19H18N4O4

SMILES: COC1=CC=C(NC(=O)C(=CC2=CC=C(C=C2)N(C)C)C#N)C(=C1)[N+]([O-])=O

IUPAC: (2E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(4-methoxy-2-nitrophenyl)prop-2-enamide

InChI: InChI=1S/C19H18N4O4/c1-22(2)15-6-4-13(5-7-15)10-14(12-20)19(24)21-17-9-8-16(27-3)11-18(17)23(25)26/h4-11H,1-3H3,(H,21,24)/b14-10+

Composition: C (62.29%), H (4.95%), N (15.29%), O (17.47%)

Molar Mass: 366.377

Atom Count: 45

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 366.132805076
Formal Charge 0
FSP3 0.16
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey UMMUDBIGKRFMCZ-GXDHUFHOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 103.6
Topological Polar Surface Area 108.5
Polarizability 37.31
Ring Count 2
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H18N4O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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