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

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C18H15ClN2O8 MolecularWeight: 422.7733

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN2O8/c1-2-26-11-3-4-13(14(7-11)21(24)25)20-16(22)8-27-18(23)10-5-12(19)17-15(6-10)28-9-29-17/h3-7H,2,8-9H2,1H3,(H,20,22)