methyl 4-(2-methyl-5-nitro-phenoxy)butanoate

Systemtic Name: methyl 4-(2-methyl-5-nitro-phenoxy)butanoate Openeye Name: methyl 4-(2-methyl-5-nitro-phenoxy)butanoate CAS Name: 4-(2-methyl-5-nitrophenoxy)butanoic acid methyl ester IUPAC Name: methyl 4-(2-methyl-5-nitrophenoxy)butanoate Traditional Name: 4-(2-methyl-5-nitro-phenoxy)butyric acid methyl ester Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])OCCCC(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])OCCCC(=O)OC

InChI

InChI=1S/C12H15NO5/c1-9-5-6-10(13(15)16)8-11(9)18-7-3-4-12(14)17-2/h5-6,8H,3-4,7H2,1-2H3