methyl 3-(benzylcarbamoyl)-5-nitrobenzoate

methyl 3-(benzylcarbamoyl)-5-nitrobenzoate

Formula: C16H14N2O5

SMILES: COC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)C(=O)NCC1=CC=CC=C1

IUPAC: methyl 3-(benzylcarbamoyl)-5-nitrobenzoate

InChI: InChI=1S/C16H14N2O5/c1-23-16(20)13-7-12(8-14(9-13)18(21)22)15(19)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,19)

Composition: C (61.14%), H (4.49%), N (8.91%), O (25.45%)

Molar Mass: 314.297

Atom Count: 37

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	314.090271559
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DBAQXNKDYYBMIY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.99
Topological Polar Surface Area	98.54
Polarizability	30.93
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H14N2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00