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

Systemtic Name: butyl 4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: butyl 4-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]benzoate CAS Name: 4-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-[(3-nitro-4-pyrrolidino-benzoyl)amino]benzoic acid butyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-2-3-14-30-22(27)16-6-9-18(10-7-16)23-21(26)17-8-11-19(20(15-17)25(28)29)24-12-4-5-13-24/h6-11,15H,2-5,12-14H2,1H3,(H,23,26)