Text Search
Structure Search

ethyl 4-[3-(2-cyanoacetohydrazido)but-2-enamido]benzoate

ethyl 4-[3-(2-cyanoacetohydrazido)but-2-enamido]benzoate

Formula: C16H18N4O4

SMILES: CCOC(=O)C1=CC=C(NC(=O)C=C(C)NNC(=O)CC#N)C=C1

IUPAC: ethyl 4-[3-(2-cyanoacetohydrazido)but-2-enamido]benzoate

InChI: InChI=1S/C16H18N4O4/c1-3-24-16(23)12-4-6-13(7-5-12)18-15(22)10-11(2)19-20-14(21)8-9-17/h4-7,10,19H,3,8H2,1-2H3,(H,18,22)(H,20,21)

Composition: C (58.17%), H (5.49%), N (16.96%), O (19.37%)

Molar Mass: 330.344

Atom Count: 42

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 330.132805076
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey SEUWRKQNONURAQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.48
Topological Polar Surface Area 120.32
Polarizability 32.7
Ring Count 1
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H18N4O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote