1,3-benzodioxol-5-ylmethyl 4-methoxy-3-nitro-benzoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-methoxy-3-nitro-benzoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid piperonyl ester Formula: C16H13NO7 MolecularWeight: 331.27692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO7/c1-21-13-5-3-11(7-12(13)17(19)20)16(18)22-8-10-2-4-14-15(6-10)24-9-23-14/h2-7H,8-9H2,1H3