ethyl 2,5-dimethyl-3-(4-nitrophenyl)-2-oxidanyl-1-(phenylcarbamoylamino)-3H-pyrrole-4-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-3-(4-nitrophenyl)-2-oxidanyl-1-(phenylcarbamoylamino)-3H-pyrrole-4-carboxylate Openeye Name: ethyl 2-hydroxy-2,5-dimethyl-3-(4-nitrophenyl)-1-(phenylcarbamoylamino)-3H-pyrrole-4-carboxylate CAS Name: 1-[[anilino(oxo)methyl]amino]-2-hydroxy-2,5-dimethyl-3-(4-nitrophenyl)-3H-pyrrole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-2,5-dimethyl-3-(4-nitrophenyl)-1-(phenylcarbamoylamino)-3H-pyrrole-4-carboxylate Traditional Name: 5-hydroxy-2,5-dimethyl-4-(4-nitrophenyl)-1-(phenylcarbamoylamino)-2-pyrroline-3-carboxylic acid ethyl ester Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(C1C2=CC=C(C=C2)[N+](=O)[O-])(C)O)NC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(C1C2=CC=C(C=C2)[N+](=O)[O-])(C)O)NC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H24N4O6/c1-4-32-20(27)18-14(2)25(24-21(28)23-16-8-6-5-7-9-16)22(3,29)19(18)15-10-12-17(13-11-15)26(30)31/h5-13,19,29H,4H2,1-3H3,(H2,23,24,28)