[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxo-1-phenylethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-22(2)20(25)19(15-8-4-3-5-9-15)29-21(26)16-10-11-17(18(14-16)24(27)28)23-12-6-7-13-23/h3-5,8-11,14,19H,6-7,12-13H2,1-2H3