methyl 4-[(2-ethoxy-2-oxoethyl)amino]-3-nitrobenzoate

methyl 4-[(2-ethoxy-2-oxoethyl)amino]-3-nitrobenzoate

CAS: 1381944-43-9

Formula: C12H14N2O6

SMILES: CCOC(=O)CNC1=CC=C(C=C1[N+]([O-])=O)C(=O)OC

IUPAC: methyl 4-[(2-ethoxy-2-oxoethyl)amino]-3-nitrobenzoate

InChI: InChI=1S/C12H14N2O6/c1-3-20-11(15)7-13-9-5-4-8(12(16)19-2)6-10(9)14(17)18/h4-6,13H,3,7H2,1-2H3

Composition: C (51.07%), H (5.00%), N (9.93%), O (34.01%)

Molar Mass: 282.252

Atom Count: 34

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	282.085186179
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	LHVJHRILVDYQAX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.2
Topological Polar Surface Area	107.77
Polarizability	26.05
Ring Count	1
Rotatable Bond Count	8

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