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

Systemtic Name: ethyl 1-(aminocarbonylamino)-2,5-dimethyl-3-(4-nitrophenyl)-2-oxidanyl-3H-pyrrole-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H20N4O6 MolecularWeight: 364.3532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O6/c1-4-26-14(21)12-9(2)19(18-15(17)22)16(3,23)13(12)10-5-7-11(8-6-10)20(24)25/h5-8,13,23H,4H2,1-3H3,(H3,17,18,22)