[4-(thiophen-2-ylcarbonylamino)phenyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [4-(2-thenoylamino)phenyl] ester Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5S/c26-21(20-4-3-13-31-20)23-16-6-8-17(9-7-16)30-22(27)15-5-10-18(19(14-15)25(28)29)24-11-1-2-12-24/h3-10,13-14H,1-2,11-12H2,(H,23,26)