[4-[(4-tert-butylphenyl)carbonylamino]phenyl] 4-nitro-1H-pyrrole-2-carboxylate

Systemtic Name: [4-[(4-tert-butylphenyl)carbonylamino]phenyl] 4-nitro-1H-pyrrole-2-carboxylate Openeye Name: [4-[(4-tert-butylbenzoyl)amino]phenyl] 4-nitro-1H-pyrrole-2-carboxylate CAS Name: 4-nitro-1H-pyrrole-2-carboxylic acid [4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(4-tert-butylbenzoyl)amino]phenyl] 4-nitro-1H-pyrrole-2-carboxylate Traditional Name: 4-nitro-1H-pyrrole-2-carboxylic acid [4-[(4-tert-butylbenzoyl)amino]phenyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C3=CC(=CN3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C3=CC(=CN3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5/c1-22(2,3)15-6-4-14(5-7-15)20(26)24-16-8-10-18(11-9-16)30-21(27)19-12-17(13-23-19)25(28)29/h4-13,23H,1-3H3,(H,24,26)