[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-nitrobenzoyl)amino]propionic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C19H16N2O8 MolecularWeight: 400.33894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O8/c1-11(20-18(23)13-3-2-4-14(7-13)21(25)26)19(24)27-9-15(22)12-5-6-16-17(8-12)29-10-28-16/h2-8,11H,9-10H2,1H3,(H,20,23)/t11-/m0/s1