[2-[(4-chloranyl-3-methoxycarbonyl-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(4-chloranyl-3-methoxycarbonyl-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(4-chloro-3-methoxycarbonyl-anilino)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(4-chloro-3-methoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-methoxycarbonylanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(3-carbomethoxy-4-chloro-anilino)-2-keto-ethyl] ester Formula: C18H14ClNO7 MolecularWeight: 391.75926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C18H14ClNO7/c1-24-18(23)12-7-11(3-4-13(12)19)20-16(21)8-25-17(22)10-2-5-14-15(6-10)27-9-26-14/h2-7H,8-9H2,1H3,(H,20,21)