[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(3-chloroanilino)-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-(3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C16H11ClN2O7 MolecularWeight: 378.72074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O7/c17-9-2-1-3-10(4-9)18-15(20)7-24-16(21)11-5-13-14(26-8-25-13)6-12(11)19(22)23/h1-6H,7-8H2,(H,18,20)