[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(5-nitrofuran-2-yl)carbonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(5-nitrofuran-2-yl)carbonylamino]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(5-nitrofuran-2-carbonyl)amino]benzoate CAS Name: 2-[[(5-nitro-2-furanyl)-oxomethyl]amino]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(5-nitrofuran-2-carbonyl)amino]benzoate Traditional Name: 2-[(5-nitro-2-furoyl)amino]benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H13N3O7 MolecularWeight: 371.30102

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O7/c1-2-9-18-14(21)10-26-17(23)11-5-3-4-6-12(11)19-16(22)13-7-8-15(27-13)20(24)25/h1,3-8H,9-10H2,(H,18,21)(H,19,22)