methyl 3-(1,3-benzodioxol-5-yl)-3-isocyano-propanoate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-yl)-3-isocyano-propanoate Openeye Name: methyl 3-(1,3-benzodioxol-5-yl)-3-isocyano-propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-3-isocyanopropanoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-yl)-3-isocyanopropanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-isocyano-propionic acid methyl ester Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC2=C(C=C1)OCO2)[N+]#[C-]

Isomeric SMILES

COC(=O)CC(C1=CC2=C(C=C1)OCO2)[N+]#[C-]

InChI

InChI=1S/C12H11NO4/c1-13-9(6-12(14)15-2)8-3-4-10-11(5-8)17-7-16-10/h3-5,9H,6-7H2,2H3