1,3-dimethyl 5-(4-ethoxy-3-nitrobenzamido)benzene-1,3-dicarboxylate

1,3-dimethyl 5-(4-ethoxy-3-nitrobenzamido)benzene-1,3-dicarboxylate

Formula: C19H18N2O8

SMILES: CCOC1=CC=C(C=C1[N+]([O-])=O)C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC

IUPAC: 1,3-dimethyl 5-(4-ethoxy-3-nitrobenzamido)benzene-1,3-dicarboxylate

InChI: InChI=1S/C19H18N2O8/c1-4-29-16-6-5-11(10-15(16)21(25)26)17(22)20-14-8-12(18(23)27-2)7-13(9-14)19(24)28-3/h5-10H,4H2,1-3H3,(H,20,22)

Composition: C (56.72%), H (4.51%), N (6.96%), O (31.81%)

Molar Mass: 402.359

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	402.106315548
Formal Charge	0
FSP3	0.21
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	WPQYGZNUCNSILS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.17
Topological Polar Surface Area	134.07
Polarizability	38.16
Ring Count	2
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H18N2O8		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00