[2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-keto-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCC(=CC2)C3=CC=CC=C3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCC(=CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O5/c1-23(2)20-9-8-18(25(28)29)14-19(20)22(27)30-15-21(26)24-12-10-17(11-13-24)16-6-4-3-5-7-16/h3-10,14H,11-13,15H2,1-2H3