[2-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[(4-tert-butylbenzoyl)amino]-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-[(4-tert-butylbenzoyl)amino]-2-keto-ethyl] ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=CC=CN2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=CC=CN2

InChI

InChI=1S/C18H20N2O4/c1-18(2,3)13-8-6-12(7-9-13)16(22)20-15(21)11-24-17(23)14-5-4-10-19-14/h4-10,19H,11H2,1-3H3,(H,20,21,22)