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

Systemtic Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]-2-keto-ethyl] ester Formula: C18H14N2O8 MolecularWeight: 386.31236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC(=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)NC(=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O8/c21-16(10-27-18(23)11-5-7-12(8-6-11)20(24)25)19-17(22)15-9-26-13-3-1-2-4-14(13)28-15/h1-8,15H,9-10H2,(H,19,21,22)/t15-/m0/s1