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

Systemtic Name: methyl 4-(4-methanoyl-2-nitro-phenoxy)butanoate Openeye Name: methyl 4-(4-formyl-2-nitro-phenoxy)butanoate CAS Name: 4-(4-formyl-2-nitrophenoxy)butanoic acid methyl ester IUPAC Name: methyl 4-(4-formyl-2-nitrophenoxy)butanoate Traditional Name: 4-(4-formyl-2-nitro-phenoxy)butyric acid methyl ester Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCOC1=C(C=C(C=C1)C=O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCOC1=C(C=C(C=C1)C=O)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO6/c1-18-12(15)3-2-6-19-11-5-4-9(8-14)7-10(11)13(16)17/h4-5,7-8H,2-3,6H2,1H3