methyl 4-butoxy-3-nitro-benzoate

Systemtic Name: methyl 4-butoxy-3-nitro-benzoate Openeye Name: methyl 4-butoxy-3-nitro-benzoate CAS Name: 4-butoxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-butoxy-3-nitrobenzoate Traditional Name: 4-butoxy-3-nitro-benzoic acid methyl ester Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

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