[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H10ClN3O9 MolecularWeight: 423.7183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClN3O9/c17-10-3-8(19(23)24)1-2-11(10)18-15(21)6-27-16(22)9-4-13-14(29-7-28-13)5-12(9)20(25)26/h1-5H,6-7H2,(H,18,21)