2-[(Z)-1-(dimethylamino)-3-oxidanylidene-4-phenylmethoxy-but-1-en-2-yl]-3-nitro-benzoate

Systemtic Name: 2-[(Z)-1-(dimethylamino)-3-oxidanylidene-4-phenylmethoxy-but-1-en-2-yl]-3-nitro-benzoate Openeye Name: 2-[(1Z)-3-benzyloxy-1-(dimethylaminomethylene)-2-oxo-propyl]-3-nitro-benzoate CAS Name: 2-[(Z)-1-(dimethylamino)-3-oxo-4-phenylmethoxybut-1-en-2-yl]-3-nitrobenzoate IUPAC Name: 2-[(Z)-1-(dimethylamino)-3-oxo-4-phenylmethoxybut-1-en-2-yl]-3-nitrobenzoate Traditional Name: 2-[(Z)-1-(2-benzoxyacetyl)-2-(dimethylamino)vinyl]-3-nitro-benzoate Formula: C20H19N2O6- MolecularWeight: 383.37466

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=C(C1=C(C=CC=C1[N+](=O)[O-])C(=O)[O-])C(=O)COCC2=CC=CC=C2

Isomeric SMILES

CN(C)/C=C(/C1=C(C=CC=C1[N+](=O)[O-])C(=O)[O-])\C(=O)COCC2=CC=CC=C2

InChI

InChI=1S/C20H20N2O6/c1-21(2)11-16(18(23)13-28-12-14-7-4-3-5-8-14)19-15(20(24)25)9-6-10-17(19)22(26)27/h3-11H,12-13H2,1-2H3,(H,24,25)/p-1/b16-11+