methyl 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylamino]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylamino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]-3-oxo-propanoate CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]-3-oxopropanoate Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]-3-keto-propionic acid methyl ester Formula: C12H12BrNO5 MolecularWeight: 330.13138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)NCC1=CC2=C(C=C1Br)OCO2

Isomeric SMILES

COC(=O)CC(=O)NCC1=CC2=C(C=C1Br)OCO2

InChI

InChI=1S/C12H12BrNO5/c1-17-12(16)4-11(15)14-5-7-2-9-10(3-8(7)13)19-6-18-9/h2-3H,4-6H2,1H3,(H,14,15)