[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-nitrobenzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C13H10N2O5 MolecularWeight: 274.2289

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=CN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=CN2)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O5/c16-12(10-5-3-7-14-10)8-20-13(17)9-4-1-2-6-11(9)15(18)19/h1-7,14H,8H2