C1=CC=C(C(=C1)CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC3=C(C=CC=C3Cl)Cl
이름: (4-nitrophenyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILES: C1=CC=C(C(=C1)CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC3=C(C=CC=C3Cl)Cl

Molecular Processing

Molecular formula
C20H14Cl2N2O4
Molecular weight
417.25
Exact mass
416.0331
XLogP
5.79
TPSA
81.47
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.05
Molar refractivity
108.62

Supplementary Information

InChIKey: XFLUPGSWPRBVSV-UHFFFAOYSA-N
동의어
SCHEMBL10801160XFLUPGSWPRBVSV-UHFFFAOYSA-N4-nitrophenyl 2-(2,6-dichlorophenyl-amino)-phenyl-acetate[o-(2,6-dichloroanilino)-phenyl]-acetic acid-p-nitrophenyl ester2-{2-[(2,6-dichlorophenyl)-amino]-phenyl}-acetic acid p-nitrophenyl ester
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