1,3-benzodioxol-5-yl 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: 1,3-benzodioxol-5-yl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C17H15NO8 MolecularWeight: 361.3029

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H15NO8/c1-3-23-16-7-11(12(18(20)21)8-14(16)22-2)17(19)26-10-4-5-13-15(6-10)25-9-24-13/h4-8H,3,9H2,1-2H3