[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C17H11ClN2O5 MolecularWeight: 358.73264

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N)Cl

InChI

InChI=1S/C17H11ClN2O5/c18-13-5-11(6-14-16(13)25-9-24-14)17(22)23-8-15(21)20-12-3-1-2-10(4-12)7-19/h1-6H,8-9H2,(H,20,21)