methyl 3-(2-methyl-5-nitro-phenoxy)butanoate

Systemtic Name: methyl 3-(2-methyl-5-nitro-phenoxy)butanoate Openeye Name: methyl 3-(2-methyl-5-nitro-phenoxy)butanoate CAS Name: 3-(2-methyl-5-nitrophenoxy)butanoic acid methyl ester IUPAC Name: methyl 3-(2-methyl-5-nitrophenoxy)butanoate Traditional Name: 3-(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-])OC(C)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5/c1-8-4-5-10(13(15)16)7-11(8)18-9(2)6-12(14)17-3/h4-5,7,9H,6H2,1-3H3