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

Systemtic Name: 4-[[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]methyl]benzoate Openeye Name: 4-[[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]methyl]benzoate CAS Name: 4-[[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]methyl]benzoate IUPAC Name: 4-[[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]methyl]benzoate Traditional Name: 4-[[(3-nitro-4-pyrrolidino-benzoyl)amino]methyl]benzoate Formula: C19H18N3O5- MolecularWeight: 368.36332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5/c23-18(20-12-13-3-5-14(6-4-13)19(24)25)15-7-8-16(17(11-15)22(26)27)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2,(H,20,23)(H,24,25)/p-1