(2-naphthalen-1-yl-2-oxidanylidene-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (2-naphthalen-1-yl-2-oxidanylidene-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(1-naphthyl)-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-(1-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-1-yl-2-oxoethyl) 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-(1-naphthyl)ethyl] ester Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O5/c26-22(19-9-5-7-16-6-1-2-8-18(16)19)15-30-23(27)17-10-11-20(21(14-17)25(28)29)24-12-3-4-13-24/h1-2,5-11,14H,3-4,12-13,15H2