methyl 3-[(4-ethoxyphenyl)carbamoyl]-5-nitrobenzoate

methyl 3-[(4-ethoxyphenyl)carbamoyl]-5-nitrobenzoate

Formula: C17H16N2O6

SMILES: CCOC1=CC=C(NC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+]([O-])=O)C=C1

IUPAC: methyl 3-[(4-ethoxyphenyl)carbamoyl]-5-nitrobenzoate

InChI: InChI=1S/C17H16N2O6/c1-3-25-15-6-4-13(5-7-15)18-16(20)11-8-12(17(21)24-2)10-14(9-11)19(22)23/h4-10H,3H2,1-2H3,(H,18,20)

Composition: C (59.30%), H (4.68%), N (8.14%), O (27.88%)

Molar Mass: 344.323

Atom Count: 41

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	344.100836243
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	FMUNJBJUECZYOT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.15
Topological Polar Surface Area	107.77
Polarizability	33.66
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H16N2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00