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

Systemtic Name: 4-(4-methyl-2-nitro-phenoxy)butanoate Openeye Name: 4-(4-methyl-2-nitro-phenoxy)butanoate CAS Name: 4-(4-methyl-2-nitrophenoxy)butanoate IUPAC Name: 4-(4-methyl-2-nitrophenoxy)butanoate Traditional Name: 4-(4-methyl-2-nitro-phenoxy)butyrate Formula: C11H12NO5- MolecularWeight: 238.21668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5/c1-8-4-5-10(9(7-8)12(15)16)17-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)/p-1