[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-tert-butyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-tert-butyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5/c1-17(2,3)12-7-6-11(9-14(12)19(22)23)16(21)24-10-15(20)13-5-4-8-18-13/h4-9,18H,10H2,1-3H3