2-methoxy-4-[(E)-{[2-(naphthalen-1-ylamino)acetamido]imino}methyl]phenyl 4-nitrobenzoate

2-methoxy-4-[(E)-{[2-(naphthalen-1-ylamino)acetamido]imino}methyl]phenyl 4-nitrobenzoate

Formula: C27H22N4O6

SMILES: COC1=CC(C=NNC(=O)CNC2=CC=CC3=CC=CC=C23)=CC=C1OC(=O)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 2-methoxy-4-[(E)-({2-[(naphthalen-1-yl)amino]acetamido}imino)methyl]phenyl 4-nitrobenzoate

InChI: InChI=1S/C27H22N4O6/c1-36-25-15-18(9-14-24(25)37-27(33)20-10-12-21(13-11-20)31(34)35)16-29-30-26(32)17-28-23-8-4-6-19-5-2-3-7-22(19)23/h2-16,28H,17H2,1H3,(H,30,32)/b29-16+

Composition: C (65.06%), H (4.45%), N (11.24%), O (19.26%)

Molar Mass: 498.495

Atom Count: 59

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	498.153934444
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	VMENCHORVOXNNU-MUFRIFMGSA-N
Lipinski's Rule of Five	1
Molar Refractivity	138.29
Topological Polar Surface Area	132.16
Polarizability	52.54
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H22N4O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00