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

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C17H14N2O7 MolecularWeight: 358.30226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O7/c20-16(18-12-2-1-3-13(9-12)19(22)23)10-26-17(21)11-4-5-14-15(8-11)25-7-6-24-14/h1-5,8-9H,6-7,10H2,(H,18,20)