[3-(diethylamino)phenyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [3-(diethylamino)phenyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [3-(diethylamino)phenyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [3-(diethylamino)phenyl] ester IUPAC Name: [3-(diethylamino)phenyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [3-(diethylamino)phenyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-3-22(4-2)17-8-7-9-18(15-17)28-21(25)16-10-11-19(20(14-16)24(26)27)23-12-5-6-13-23/h7-11,14-15H,3-6,12-13H2,1-2H3