[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)Cl)N

InChI

InChI=1S/C18H17ClN2O6/c1-24-15-6-13(20)12(19)5-11(15)18(23)25-8-17(22)21-7-10-2-3-14-16(4-10)27-9-26-14/h2-6H,7-9,20H2,1H3,(H,21,22)