[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C13H10N2O5 MolecularWeight: 274.2289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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