[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C)C

InChI

InChI=1S/C22H24N2O5/c1-14-10-16(3)18(11-15(14)2)21(25)13-29-22(26)17-6-7-19(20(12-17)24(27)28)23-8-4-5-9-23/h6-7,10-12H,4-5,8-9,13H2,1-3H3