methyl 4-(2,2-dimethoxyethyl)-3-nitro-benzoate

Systemtic Name: methyl 4-(2,2-dimethoxyethyl)-3-nitro-benzoate Openeye Name: methyl 4-(2,2-dimethoxyethyl)-3-nitro-benzoate CAS Name: 4-(2,2-dimethoxyethyl)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(2,2-dimethoxyethyl)-3-nitrobenzoate Traditional Name: 4-(2,2-dimethoxyethyl)-3-nitro-benzoic acid methyl ester Formula: C12H15NO6 MolecularWeight: 269.2506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO6/c1-17-11(18-2)7-8-4-5-9(12(14)19-3)6-10(8)13(15)16/h4-6,11H,7H2,1-3H3