propan-2-yl N-[(E)-2-(1,3-benzodioxol-5-yl)-1-nitro-ethenyl]-N-(propan-2-yloxycarbonylamino)carbamate

Systemtic Name: propan-2-yl N-[(E)-2-(1,3-benzodioxol-5-yl)-1-nitro-ethenyl]-N-(propan-2-yloxycarbonylamino)carbamate Openeye Name: isopropyl N-[(E)-2-(1,3-benzodioxol-5-yl)-1-nitro-vinyl]-N-(isopropoxycarbonylamino)carbamate CAS Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-nitroethenyl]-N-[[oxo(propan-2-yloxy)methyl]amino]carbamic acid propan-2-yl ester IUPAC Name: propan-2-yl N-[(E)-2-(1,3-benzodioxol-5-yl)-1-nitroethenyl]-N-(propan-2-yloxycarbonylamino)carbamate Traditional Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-nitro-vinyl]-N-(isopropoxycarbonylamino)carbamic acid isopropyl ester Formula: C17H21N3O8 MolecularWeight: 395.36394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)NN(C(=CC1=CC2=C(C=C1)OCO2)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)NN(/C(=C\C1=CC2=C(C=C1)OCO2)/[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C17H21N3O8/c1-10(2)27-16(21)18-19(17(22)28-11(3)4)15(20(23)24)8-12-5-6-13-14(7-12)26-9-25-13/h5-8,10-11H,9H2,1-4H3,(H,18,21)/b15-8+