[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[4-(dimethylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[4-(dimethylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[4-(dimethylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[4-(dimethylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(dimethylamino)-3-nitro-benzoyl]benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCC#C)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCC#C)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6/c1-4-11-22-19(25)13-30-21(27)16-8-6-5-7-15(16)20(26)14-9-10-17(23(2)3)18(12-14)24(28)29/h1,5-10,12H,11,13H2,2-3H3,(H,22,25)