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

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C17H13ClN2O7 MolecularWeight: 392.74732

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H13ClN2O7/c18-12-8-11(20(23)24)2-3-13(12)19-16(21)9-27-17(22)10-1-4-14-15(7-10)26-6-5-25-14/h1-4,7-8H,5-6,9H2,(H,19,21)