[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-nitrobenzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-nitrobenzoate Traditional Name: 4-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=CNC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CNC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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