methyl 6-[(9-chloranyl-5,6,7,8-tetrahydroacridin-3-yl)carbonylamino]-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 6-[(9-chloranyl-5,6,7,8-tetrahydroacridin-3-yl)carbonylamino]-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 6-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]-1,3-benzodioxole-5-carboxylate CAS Name: 6-[[(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-oxomethyl]amino]-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]-1,3-benzodioxole-5-carboxylate Traditional Name: 6-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]-piperonylic acid methyl ester Formula: C23H19ClN2O5 MolecularWeight: 438.86036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1NC(=O)C3=CC4=C(C=C3)C(=C5CCCCC5=N4)Cl)OCO2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1NC(=O)C3=CC4=C(C=C3)C(=C5CCCCC5=N4)Cl)OCO2

InChI

InChI=1S/C23H19ClN2O5/c1-29-23(28)15-9-19-20(31-11-30-19)10-18(15)26-22(27)12-6-7-14-17(8-12)25-16-5-3-2-4-13(16)21(14)24/h6-10H,2-5,11H2,1H3,(H,26,27)