methyl 4-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethoxy]-3-bromanyl-benzoate

Systemtic Name: methyl 4-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethoxy]-3-bromanyl-benzoate Openeye Name: methyl 4-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethoxy]-3-bromo-benzoate CAS Name: 4-[2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-oxoethoxy]-3-bromobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethoxy]-3-bromobenzoate Traditional Name: 4-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethoxy]-3-bromo-benzoic acid methyl ester Formula: C18H15BrN2O7 MolecularWeight: 451.2249

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3)Br

InChI

InChI=1S/C18H15BrN2O7/c1-25-17(23)10-2-4-13(12(19)6-10)26-8-16(22)21-18(24)20-11-3-5-14-15(7-11)28-9-27-14/h2-7H,8-9H2,1H3,(H2,20,21,22,24)