[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C20H18N2O8 MolecularWeight: 414.36552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O8/c23-16(14-3-6-17-18(11-14)29-10-9-28-17)12-30-19(24)7-8-21-20(25)13-1-4-15(5-2-13)22(26)27/h1-6,11H,7-10,12H2,(H,21,25)