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

Systemtic Name: methyl 1-(aminocarbonylamino)-2,5-dimethyl-3-(4-nitrophenyl)-2-oxidanyl-3H-pyrrole-4-carboxylate Openeye Name: methyl 2-hydroxy-2,5-dimethyl-3-(4-nitrophenyl)-1-ureido-3H-pyrrole-4-carboxylate CAS Name: 1-(carbamoylamino)-2-hydroxy-2,5-dimethyl-3-(4-nitrophenyl)-3H-pyrrole-4-carboxylic acid methyl ester IUPAC Name: methyl 1-(carbamoylamino)-2-hydroxy-2,5-dimethyl-3-(4-nitrophenyl)-3H-pyrrole-4-carboxylate Traditional Name: 5-hydroxy-2,5-dimethyl-4-(4-nitrophenyl)-1-ureido-2-pyrroline-3-carboxylic acid methyl ester Formula: C15H18N4O6 MolecularWeight: 350.32662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O6/c1-8-11(13(20)25-3)12(15(2,22)18(8)17-14(16)21)9-4-6-10(7-5-9)19(23)24/h4-7,12,22H,1-3H3,(H3,16,17,21)