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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C18H15ClN2O8/c1-26-14-8-11(21(24)25)2-3-13(14)20-16(22)9-29-18(23)10-6-12(19)17-15(7-10)27-4-5-28-17/h2-3,6-8H,4-5,9H2,1H3,(H,20,22)