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

Systemtic Name: (2-naphthalen-2-yl-2-oxidanylidene-ethyl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-(2-naphthyl)-2-oxo-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-(2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-2-yl-2-oxoethyl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-keto-2-(2-naphthyl)ethyl] ester Formula: C23H20N2O6 MolecularWeight: 420.4147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O6/c26-22(18-6-5-16-3-1-2-4-17(16)13-18)15-31-23(27)19-7-8-20(21(14-19)25(28)29)24-9-11-30-12-10-24/h1-8,13-14H,9-12,15H2