methyl 4-(3-methyl-4-nitro-phenoxy)butanoate

Systemtic Name: methyl 4-(3-methyl-4-nitro-phenoxy)butanoate Openeye Name: methyl 4-(3-methyl-4-nitro-phenoxy)butanoate CAS Name: 4-(3-methyl-4-nitrophenoxy)butanoic acid methyl ester IUPAC Name: methyl 4-(3-methyl-4-nitrophenoxy)butanoate Traditional Name: 4-(3-methyl-4-nitro-phenoxy)butyric acid methyl ester Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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