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

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H12Cl2N2O7 MolecularWeight: 427.19238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C17H12Cl2N2O7/c1-8(16(22)20-13-3-2-10(21(24)25)6-11(13)18)28-17(23)9-4-12(19)15-14(5-9)26-7-27-15/h2-6,8H,7H2,1H3,(H,20,22)