3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H22N4O5/c26-20(16-14-15(25(28)29)8-9-18(16)23-10-3-4-11-23)30-13-5-12-24-19-7-2-1-6-17(19)22-21(24)27/h1-2,6-9,14H,3-5,10-13H2,(H,22,27)