3-methylbutyl 5-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate

Systemtic Name: 3-methylbutyl 5-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate Openeye Name: isopentyl 5-(2,4-dichlorophenoxy)-2-nitro-benzoate CAS Name: 5-(2,4-dichlorophenoxy)-2-nitrobenzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate Traditional Name: 5-(2,4-dichlorophenoxy)-2-nitro-benzoic acid isoamyl ester Formula: C18H17Cl2NO5 MolecularWeight: 398.23728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17Cl2NO5/c1-11(2)7-8-25-18(22)14-10-13(4-5-16(14)21(23)24)26-17-6-3-12(19)9-15(17)20/h3-6,9-11H,7-8H2,1-2H3