[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H10Cl2N2O7 MolecularWeight: 413.1658

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C16H10Cl2N2O7/c17-10-5-9(20(23)24)1-2-12(10)19-14(21)6-25-16(22)8-3-11(18)15-13(4-8)26-7-27-15/h1-5H,6-7H2,(H,19,21)