[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-keto-ethyl] ester Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CCNC(=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CCNC(=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O7/c22-18(12-28-19(23)14-2-4-15(5-3-14)21(24)25)20-8-7-13-1-6-16-17(11-13)27-10-9-26-16/h1-6,11H,7-10,12H2,(H,20,22)