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

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-oxo-2-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-(2-phenoxyethylamino)ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCCOC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCCOC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c25-20(22-10-13-29-17-6-2-1-3-7-17)15-30-21(26)16-8-9-18(19(14-16)24(27)28)23-11-4-5-12-23/h1-3,6-9,14H,4-5,10-13,15H2,(H,22,25)