2-oxidanylidenepropyl 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: 2-oxidanylidenepropyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: acetonyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid acetonyl ester Formula: C13H15NO7 MolecularWeight: 297.2607

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)C)[N+](=O)[O-])OC

InChI

InChI=1S/C13H15NO7/c1-4-20-12-5-9(13(16)21-7-8(2)15)10(14(17)18)6-11(12)19-3/h5-6H,4,7H2,1-3H3