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

Systemtic Name: methyl 2,5-dimethyl-3-(4-nitrophenyl)-2-oxidanyl-1-(phenylcarbamoylamino)-3H-pyrrole-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(N1NC(=O)NC2=CC=CC=C2)(C)O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(N1NC(=O)NC2=CC=CC=C2)(C)O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H22N4O6/c1-13-17(19(26)31-3)18(14-9-11-16(12-10-14)25(29)30)21(2,28)24(13)23-20(27)22-15-7-5-4-6-8-15/h4-12,18,28H,1-3H3,(H2,22,23,27)